N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide

C19H18ClN7O — CID 169122171

IUPACN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)N1CCCc2c(C3CC3)cncc21
InChIInChI=1S/C19H18ClN7O/c20-16-8-13(9-22-18(16)27-23-5-6-24-27)25-19(28)26-7-1-2-14-15(12-3-4-12)10-21-11-17(14)26/h5-6,8-12H,1-4,7H2,(H,25,28)
InChIKeyMDOJVKPKMVJZED-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.57
Rot. Bonds3

About N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide

N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide (PubChem CID 169122171) has the molecular formula C19H18ClN7O and a molecular weight of 395.85 g/mol. Its IUPAC name is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
PubChem CID169122171
Molecular FormulaC19H18ClN7O
Molecular Weight395.85 g/mol
Exact Mass395.13
IUPAC NameN-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide
SMILESO=C(Nc1cnc(-n2nccn2)c(Cl)c1)N1CCCc2c(C3CC3)cncc21
InChIInChI=1S/C19H18ClN7O/c20-16-8-13(9-22-18(16)27-23-5-6-24-27)25-19(28)26-7-1-2-14-15(12-3-4-12)10-21-11-17(14)26/h5-6,8-12H,1-4,7H2,(H,25,28)
InChIKeyMDOJVKPKMVJZED-UHFFFAOYSA-N
XLogP3.57
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-2,3-dihydropyrido[4,3-b][1,4]oxazine-4-carboxamide
CID 169122150
3-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1,5,8-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carboxamide
CID 169122156
8-bromo-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(oxan-4-yl)-2,3-dihydropyrido[3,4-b]pyrazine-4-carboxamide
CID 169122205
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclooctylcyclononane-1-carboxamide
CID 156577141
(3S)-11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-cyclopropyl-3-methyl-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156539290
(3R)-11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-(difluoromethyl)-3-methyl-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156563336
(12S)-4-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-12-methoxy-13,13-dimethyl-2,3,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraene-10-carboxamide
CID 156539707
(3S)-11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-3-methoxy-3-(trifluoromethyl)-1,5,8,12-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 156563886
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146285198
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 134610069
11-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]spiro[1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-3,1'-cyclobutane]-5-carboxamide
CID 171466324
(5R)-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-10-fluoro-3,3-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-5-carboxamide
CID 164600465

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide (CID 169122171) is N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide is O=C(Nc1cnc(-n2nccn2)c(Cl)c1)N1CCCc2c(C3CC3)cncc21.
What is the InChIKey of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide?
The InChIKey is MDOJVKPKMVJZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN7O/c20-16-8-13(9-22-18(16)27-23-5-6-24-27)25-19(28)26-7-1-2-14-15(12-3-4-12)10-21-11-17(14)26/h5-6,8-12H,1-4,7H2,(H,25,28).
What are the key properties of N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide?
N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-cyclopropyl-3,4-dihydro-2H-1,7-naphthyridine-1-carboxamide is sourced from PubChem (CID 169122171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).