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

C24H25N7O3 — CID 5497094

IUPAC3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide
SMILESCc1ccc2ccc(NC(=O)CCNCCC(=O)NCc3ccc4ccc(=O)[nH]c4n3)nc2n1
InChIInChI=1S/C24H25N7O3/c1-15-2-3-16-5-8-19(30-23(16)27-15)29-22(34)11-13-25-12-10-20(32)26-14-18-7-4-17-6-9-21(33)31-24(17)28-18/h2-9,25H,10-14H2,1H3,(H,26,32)(H,28,31,33)(H,27,29,30,34)
InChIKeyBWINWCKASXYPFA-UHFFFAOYSA-N
MW459.51 g/mol
LogP1.80
Rot. Bonds9

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

3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide (PubChem CID 5497094) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is 3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide
PubChem CID5497094
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC Name3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide
SMILESCc1ccc2ccc(NC(=O)CCNCCC(=O)NCc3ccc4ccc(=O)[nH]c4n3)nc2n1
InChIInChI=1S/C24H25N7O3/c1-15-2-3-16-5-8-19(30-23(16)27-15)29-22(34)11-13-25-12-10-20(32)26-14-18-7-4-17-6-9-21(33)31-24(17)28-18/h2-9,25H,10-14H2,1H3,(H,26,32)(H,28,31,33)(H,27,29,30,34)
InChIKeyBWINWCKASXYPFA-UHFFFAOYSA-N
XLogP1.80
TPSA141.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

CID 162244949
CID 162244949
heptane;7-methyl-1,8-naphthyridin-2-amine;N-(7-methyl-1,8-naphthyridin-2-yl)-3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]propanamide
CID 158365975
4-amino-N-(7-methyl-1,8-naphthyridin-2-yl)butanamide;hydrochloride
CID 139882028
N-(7-chloro-1,8-naphthyridin-2-yl)butanamide
CID 102404571
N-(5,7-dimethyl-1,8-naphthyridin-2-yl)butanamide
CID 6488581
3-(cyclopropylamino)-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 62308912
4-(2,5-dimethylthiophen-3-yl)-N-[(6-methyl-2-pyridinyl)methyl]-4-oxobutanamide
CID 87041467
N-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethylcarbamoylamino)propanamide
CID 86861206
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787
N-[(6-methylpyridazin-3-yl)methyl]-2-sulfanylacetamide
CID 130901261
3-methylsulfanyl-N-(quinolin-2-ylmethyl)propanamide
CID 77090150
trans-(1S,2S)-2-(4-fluorophenyl)-N-[3-[(6-methyl-2-pyridinyl)amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94811747

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide?
The IUPAC name of 3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide (CID 5497094) is 3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide?
The canonical SMILES for 3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide is Cc1ccc2ccc(NC(=O)CCNCCC(=O)NCc3ccc4ccc(=O)[nH]c4n3)nc2n1.
What is the InChIKey of 3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide?
The InChIKey is BWINWCKASXYPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-15-2-3-16-5-8-19(30-23(16)27-15)29-22(34)11-13-25-12-10-20(32)26-14-18-7-4-17-6-9-21(33)31-24(17)28-18/h2-9,25H,10-14H2,1H3,(H,26,32)(H,28,31,33)(H,27,29,30,34).
What are the key properties of 3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide?
3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide has a molecular weight of 459.51 g/mol, XLogP of 1.80, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(7-methyl-1,8-naphthyridin-2-yl)amino]-3-oxopropyl]amino]-N-[(7-oxo-8H-1,8-naphthyridin-2-yl)methyl]propanamide is sourced from PubChem (CID 5497094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).