5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide

C25H26ClN7O2 — CID 171066050

IUPAC5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(NCCCNC(=O)CCNCc1cncc(Cl)c1)c1ccncc12
InChIInChI=1S/C25H26ClN7O2/c26-18-10-16(13-30-14-18)12-28-9-5-23(34)31-6-1-7-32-25-20-4-8-29-15-21(20)19-3-2-17(24(27)35)11-22(19)33-25/h2-4,8,10-11,13-15,28H,1,5-7,9,12H2,(H2,27,35)(H,31,34)(H,32,33)
InChIKeyARBDREXGPBBESG-UHFFFAOYSA-N
MW491.98 g/mol
LogP3.03
Rot. Bonds11

About 5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide

5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide (PubChem CID 171066050) has the molecular formula C25H26ClN7O2 and a molecular weight of 491.98 g/mol. Its IUPAC name is 5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide.

Molecular Properties

Compound Name5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
PubChem CID171066050
Molecular FormulaC25H26ClN7O2
Molecular Weight491.98 g/mol
Exact Mass491.18
IUPAC Name5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc(NCCCNC(=O)CCNCc1cncc(Cl)c1)c1ccncc12
InChIInChI=1S/C25H26ClN7O2/c26-18-10-16(13-30-14-18)12-28-9-5-23(34)31-6-1-7-32-25-20-4-8-29-15-21(20)19-3-2-17(24(27)35)11-22(19)33-25/h2-4,8,10-11,13-15,28H,1,5-7,9,12H2,(H2,27,35)(H,31,34)(H,32,33)
InChIKeyARBDREXGPBBESG-UHFFFAOYSA-N
XLogP3.03
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.98
LogP ≤ 53.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-[3-(3-aminopropanoylamino)propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066209
5-[3-[3-[(5-cyclopropyl-2-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066121
5-[[4-[2-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]ethylamino]-4-oxobutyl]amino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066189
5-[2-[4-[[3-chloro-4-(trifluoromethoxy)phenyl]methylamino]butanoylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066369
5-[2-[4-[(5-chloro-6-phenyl-3-pyridinyl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066454
5-[2-[4-[(3-chloro-4-pyrazin-2-ylphenyl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171065994
3-[(3-chloro-4-cyclobutyloxyphenyl)methylamino]-N-[3-[[8-(2H-tetrazol-5-yl)benzo[c][2,6]naphthyridin-5-yl]amino]propyl]propanamide
CID 171066441
5-[2-[(4S)-4-[(3-chlorophenyl)methylamino]pentoxy]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066325
5-[2-[4-[(3-cyano-4-cyclobutyloxyphenyl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066289
5-[2-[4-[[5-(trifluoromethyl)-1H-indol-2-yl]methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066515
5-[2-[4-[(5-phenyl-1,3-thiazol-2-yl)methylamino]butylamino]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066521
5-[2-[5-[2-[(3-chloro-4-phenylphenyl)methylamino]ethyl]-1H-1,2,4-triazol-3-yl]ethylamino]benzo[c][2,6]naphthyridine-8-carboxamide
CID 171066338

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide?
The IUPAC name of 5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide (CID 171066050) is 5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide.
What is the SMILES notation for 5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide?
The canonical SMILES for 5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide is NC(=O)c1ccc2c(c1)nc(NCCCNC(=O)CCNCc1cncc(Cl)c1)c1ccncc12.
What is the InChIKey of 5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide?
The InChIKey is ARBDREXGPBBESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O2/c26-18-10-16(13-30-14-18)12-28-9-5-23(34)31-6-1-7-32-25-20-4-8-29-15-21(20)19-3-2-17(24(27)35)11-22(19)33-25/h2-4,8,10-11,13-15,28H,1,5-7,9,12H2,(H2,27,35)(H,31,34)(H,32,33).
What are the key properties of 5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide?
5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide has a molecular weight of 491.98 g/mol, XLogP of 3.03, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-[(5-chloro-3-pyridinyl)methylamino]propanoylamino]propylamino]benzo[c][2,6]naphthyridine-8-carboxamide is sourced from PubChem (CID 171066050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).