3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide

C56H64N14O4 — CID 171355787

IUPAC3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide
SMILESCc1ccc2ccc(NC(=O)CCN(CCCCCCCCN(CCC(=O)Nc3ccc4ccc(C)nc4n3)CCC(=O)Nc3ccc4ccc(C)nc4n3)CCC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1
InChIInChI=1S/C56H64N14O4/c1-37-11-15-41-19-23-45(65-53(41)57-37)61-49(71)27-33-69(34-28-50(72)62-46-24-20-42-16-12-38(2)58-54(42)66-46)31-9-7-5-6-8-10-32-70(35-29-51(73)63-47-25-21-43-17-13-39(3)59-55(43)67-47)36-30-52(74)64-48-26-22-44-18-14-40(4)60-56(44)68-48/h11-26H,5-10,27-36H2,1-4H3,(H,57,61,65,71)(H,58,62,66,72)(H,59,63,67,73)(H,60,64,68,74)
InChIKeyQHFQJZMNXFKEGM-UHFFFAOYSA-N
MW997.22 g/mol
LogP9.05
Rot. Bonds25

About 3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide

3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide (PubChem CID 171355787) has the molecular formula C56H64N14O4 and a molecular weight of 997.22 g/mol. Its IUPAC name is 3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide.

Molecular Properties

Compound Name3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide
PubChem CID171355787
Molecular FormulaC56H64N14O4
Molecular Weight997.22 g/mol
Exact Mass996.52
IUPAC Name3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide
SMILESCc1ccc2ccc(NC(=O)CCN(CCCCCCCCN(CCC(=O)Nc3ccc4ccc(C)nc4n3)CCC(=O)Nc3ccc4ccc(C)nc4n3)CCC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1
InChIInChI=1S/C56H64N14O4/c1-37-11-15-41-19-23-45(65-53(41)57-37)61-49(71)27-33-69(34-28-50(72)62-46-24-20-42-16-12-38(2)58-54(42)66-46)31-9-7-5-6-8-10-32-70(35-29-51(73)63-47-25-21-43-17-13-39(3)59-55(43)67-47)36-30-52(74)64-48-26-22-44-18-14-40(4)60-56(44)68-48/h11-26H,5-10,27-36H2,1-4H3,(H,57,61,65,71)(H,58,62,66,72)(H,59,63,67,73)(H,60,64,68,74)
InChIKeyQHFQJZMNXFKEGM-UHFFFAOYSA-N
XLogP9.05
TPSA226.00 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds25
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500997.22
LogP ≤ 59.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide with MolForge

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Related Compounds

Naphthyridine Carbamate Dimer
CID 11591482
Propanamide, 3,3'-iminobis[N-(7-methyl-1,8-naphthyridin-2-yl)-
CID 9955073
1-[3-[[4-[[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]piperidin-1-yl]methyl]-9-azabicyclo[3.3.1]non-2-en-9-yl]ethanone
CID 44455623
4-[methyl(2-pyridin-2-ylethyl)amino]-N,2-dipyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 71452326
3-[3-(dimethylamino)propylamino]-N-[4-[[2-[2-[3-[3-(dimethylamino)propylamino]propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide
CID 134131816
2-(4-methylpiperazin-1-yl)-N-[4-[[2-[2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]quinazolin-4-yl]amino]phenyl]acetamide
CID 134132979
3-piperidin-1-yl-N-[4-[[2-[2-(3-piperidin-1-ylpropanoylamino)phenyl]quinazolin-4-yl]amino]phenyl]propanamide
CID 134138945
3-(4-methylpiperazin-1-yl)-N-[4-[[2-[2-[3-(4-methylpiperazin-1-yl)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide
CID 134148937
3-(diethylamino)-N-[4-[[2-[2-[3-(diethylamino)propanoylamino]phenyl]quinazolin-4-yl]amino]phenyl]propanamide
CID 134155587
2,2-Dimethyl-N-(7-methyl-5-phenyl-[1,8]naphthyridin-2-yl)-propionamide
CID 6488584
3-amino-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide
CID 44391394
1-[7-(6-amino-3-pyridinyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]-N,N-dimethylpiperidine-4-carboxamide
CID 25000735

Frequently Asked Questions

What is the IUPAC name of 3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide?
The IUPAC name of 3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide (CID 171355787) is 3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide.
What is the SMILES notation for 3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide?
The canonical SMILES for 3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide is Cc1ccc2ccc(NC(=O)CCN(CCCCCCCCN(CCC(=O)Nc3ccc4ccc(C)nc4n3)CCC(=O)Nc3ccc4ccc(C)nc4n3)CCC(=O)Nc3ccc4ccc(C)nc4n3)nc2n1.
What is the InChIKey of 3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide?
The InChIKey is QHFQJZMNXFKEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H64N14O4/c1-37-11-15-41-19-23-45(65-53(41)57-37)61-49(71)27-33-69(34-28-50(72)62-46-24-20-42-16-12-38(2)58-54(42)66-46)31-9-7-5-6-8-10-32-70(35-29-51(73)63-47-25-21-43-17-13-39(3)59-55(43)67-47)36-30-52(74)64-48-26-22-44-18-14-40(4)60-56(44)68-48/h11-26H,5-10,27-36H2,1-4H3,(H,57,61,65,71)(H,58,62,66,72)(H,59,63,67,73)(H,60,64,68,74).
What are the key properties of 3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide?
3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide has a molecular weight of 997.22 g/mol, XLogP of 9.05, 25 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[bis[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]octyl-[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-(7-methyl-1,8-naphthyridin-2-yl)propanamide is sourced from PubChem (CID 171355787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).