4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide

C15H22N4O — CID 61233390

IUPAC4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N(C)C2CC3CCC(C2)N3)ccn1
InChIInChI=1S/C15H22N4O/c1-16-15(20)14-9-12(5-6-17-14)19(2)13-7-10-3-4-11(8-13)18-10/h5-6,9-11,13,18H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeyCSKRCZFJQQPDMC-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.16
Rot. Bonds3

About 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide

4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide (PubChem CID 61233390) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide
PubChem CID61233390
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(N(C)C2CC3CCC(C2)N3)ccn1
InChIInChI=1S/C15H22N4O/c1-16-15(20)14-9-12(5-6-17-14)19(2)13-7-10-3-4-11(8-13)18-10/h5-6,9-11,13,18H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeyCSKRCZFJQQPDMC-UHFFFAOYSA-N
XLogP1.16
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-aminocyclohexyl)-methylamino]-N-methylpyridine-2-carboxamide
CID 79116085
3-[cyclopropyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 60829186
N-cyclopropyl-4-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109201729
N-methyl-4-[methyl(pyridine-4-carbonyl)amino]pyridine-2-carboxamide
CID 174187705
methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
CID 62005376
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61232559
methyl 4-[methyl(piperidin-3-yl)amino]pyridine-2-carboxylate
CID 66284702
4-(2,2-dimethylhydrazinyl)-N-methylpyridine-2-carboxamide
CID 83025450
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
2-[[2-(methylcarbamoyl)-4-pyridinyl]-propan-2-ylamino]acetic acid
CID 60828541
4-[2-hydroxyethyl(propyl)amino]-N-methylpyridine-2-carboxamide
CID 61425976
4-[methyl(oxolan-3-yl)amino]pyridine-2-carboxylic acid
CID 82739701

Frequently Asked Questions

What is the IUPAC name of 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide (CID 61233390) is 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(N(C)C2CC3CCC(C2)N3)ccn1.
What is the InChIKey of 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide?
The InChIKey is CSKRCZFJQQPDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-16-15(20)14-9-12(5-6-17-14)19(2)13-7-10-3-4-11(8-13)18-10/h5-6,9-11,13,18H,3-4,7-8H2,1-2H3,(H,16,20).
What are the key properties of 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide?
4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 61233390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).