4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide

C15H22N4O — CID 61232559

IUPAC4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NC2CC3CCC(C2)N3)ccn1
InChIInChI=1S/C15H22N4O/c1-19(2)15(20)14-9-12(5-6-16-14)18-13-7-10-3-4-11(8-13)17-10/h5-6,9-11,13,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyNEVVYJIBTMCGKY-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.48
Rot. Bonds3

About 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide

4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide (PubChem CID 61232559) 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-ylamino)-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide
PubChem CID61232559
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(NC2CC3CCC(C2)N3)ccn1
InChIInChI=1S/C15H22N4O/c1-19(2)15(20)14-9-12(5-6-16-14)18-13-7-10-3-4-11(8-13)17-10/h5-6,9-11,13,17H,3-4,7-8H2,1-2H3,(H,16,18)
InChIKeyNEVVYJIBTMCGKY-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxamide
CID 79110565
4-(dicyclopropylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 61482684
4-(cyclopentylmethylamino)-N,N-dimethylpyridine-2-carboxamide
CID 43517479
4-(cyclopentylamino)-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-2-carboxamide
CID 109204215
4-[[2-(dimethylcarbamoyl)-4-pyridinyl]amino]oxolane-3-carboxylic acid
CID 66241308
N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 43395286
4-(2-cyclopropylpropylamino)-N,N-dimethylpyridine-2-carboxamide
CID 115620851
4-[(3-hydroxycyclohexyl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 103703448
4-(2,3-dihydro-1H-inden-2-ylcarbamoylamino)-N,N-dimethylpyridine-2-carboxamide
CID 75507305
4-[1-(4-fluorophenyl)ethylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704565
4-[(1-ethylpyrrolidin-3-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60855023
4-[(2-amino-2-methylpropyl)amino]-N,N-dimethylpyridine-2-carboxamide
CID 113282785

Frequently Asked Questions

What is the IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide (CID 61232559) is 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(NC2CC3CCC(C2)N3)ccn1.
What is the InChIKey of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is NEVVYJIBTMCGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19(2)15(20)14-9-12(5-6-16-14)18-13-7-10-3-4-11(8-13)17-10/h5-6,9-11,13,17H,3-4,7-8H2,1-2H3,(H,16,18).
What are the key properties of 4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide?
4-(8-azabicyclo[3.2.1]octan-3-ylamino)-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.48, 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-ylamino)-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 61232559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).