2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C22H21ClN4O2 — CID 169257011

IUPAC2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1nc(C23CCC(CC2)C3)c(Cl)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C22H21ClN4O2/c1-11-13(8-14(23)20(26-11)22-5-2-12(10-22)3-6-22)16-9-17(28)18-15(27-16)4-7-25-19(18)21(24)29/h4,7-9,12H,2-3,5-6,10H2,1H3,(H2,24,29)(H,27,28)
InChIKeyBRCLXQKKWWWQES-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.88
Rot. Bonds3

About 2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169257011) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID169257011
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1nc(C23CCC(CC2)C3)c(Cl)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C22H21ClN4O2/c1-11-13(8-14(23)20(26-11)22-5-2-12(10-22)3-6-22)16-9-17(28)18-15(27-16)4-7-25-19(18)21(24)29/h4,7-9,12H,2-3,5-6,10H2,1H3,(H2,24,29)(H,27,28)
InChIKeyBRCLXQKKWWWQES-UHFFFAOYSA-N
XLogP3.88
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256506
2-[6-(1-bicyclo[1.1.1]pentanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carbonitrile
CID 170347248
2-[5-chloro-4-(3,3-difluorocyclopentyl)-2-methylphenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide;ethane
CID 169256508
2-(4-tert-butyl-5-chloro-2-methylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide;propan-1-ol
CID 176997515
2-(5-ethyl-2,4-dimethylphenyl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256277
2-[5-chloro-3-deuterio-4-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-2-methylphenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256205
2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 177192684
2-[6-(3,3-difluorocyclobutyl)-2-(4,4-difluorocyclohexyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249780
2-(5-tert-butyl-3,6-dimethylpyrazin-2-yl)-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256802
2-[2,5-dimethyl-4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169256572
2-[5-chloro-2-(4-fluoro-2-methylphenoxy)-4-(trifluoromethyl)phenyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249231
2-[5-chloro-2-(4,4-difluoroazepan-1-yl)-4,6-dimethyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
CID 169249397

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 169257011) is 2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is Cc1nc(C23CCC(CC2)C3)c(Cl)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1.
What is the InChIKey of 2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is BRCLXQKKWWWQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-11-13(8-14(23)20(26-11)22-5-2-12(10-22)3-6-22)16-9-17(28)18-15(27-16)4-7-25-19(18)21(24)29/h4,7-9,12H,2-3,5-6,10H2,1H3,(H2,24,29)(H,27,28).
What are the key properties of 2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1-bicyclo[2.2.1]heptanyl)-5-chloro-2-methyl-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169257011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).