2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C22H21ClN4O2 — CID 169256506

IUPAC2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1nc(C2CC3(C)CC2C3)c(Cl)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C22H21ClN4O2/c1-10-12(5-14(23)19(26-10)13-9-22(2)7-11(13)8-22)16-6-17(28)18-15(27-16)3-4-25-20(18)21(24)29/h3-6,11,13H,7-9H2,1-2H3,(H2,24,29)(H,27,28)
InChIKeyCFFIMOIPLCKDKP-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.95
Rot. Bonds3

About 2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 169256506) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID169256506
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCc1nc(C2CC3(C)CC2C3)c(Cl)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1
InChIInChI=1S/C22H21ClN4O2/c1-10-12(5-14(23)19(26-10)13-9-22(2)7-11(13)8-22)16-6-17(28)18-15(27-16)3-4-25-20(18)21(24)29/h3-6,11,13H,7-9H2,1-2H3,(H2,24,29)(H,27,28)
InChIKeyCFFIMOIPLCKDKP-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 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) is 2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is Cc1nc(C2CC3(C)CC2C3)c(Cl)cc1-c1cc(=O)c2c(C(N)=O)nccc2[nH]1.
What is the InChIKey of 2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is CFFIMOIPLCKDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-10-12(5-14(23)19(26-10)13-9-22(2)7-11(13)8-22)16-6-17(28)18-15(27-16)3-4-25-20(18)21(24)29/h3-6,11,13H,7-9H2,1-2H3,(H2,24,29)(H,27,28).
What are the key properties of 2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-methyl-6-(4-methyl-2-bicyclo[2.1.1]hexanyl)-3-pyridinyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 169256506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).