N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride

C18H24ClN5O — CID 66939123

IUPACN-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride
SMILESCN1CCC(N(C)c2cccc(NC(=O)c3ccncc3)n2)CC1.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-22-12-8-15(9-13-22)23(2)17-5-3-4-16(20-17)21-18(24)14-6-10-19-11-7-14;/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,20,21,24);1H
InChIKeyZYDIDNXINFBFIM-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.68
Rot. Bonds4

About N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride

N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 66939123) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride
PubChem CID66939123
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC NameN-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride
SMILESCN1CCC(N(C)c2cccc(NC(=O)c3ccncc3)n2)CC1.Cl
InChIInChI=1S/C18H23N5O.ClH/c1-22-12-8-15(9-13-22)23(2)17-5-3-4-16(20-17)21-18(24)14-6-10-19-11-7-14;/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,20,21,24);1H
InChIKeyZYDIDNXINFBFIM-UHFFFAOYSA-N
XLogP2.68
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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BPKDi
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Unii-O3pen5V8WL
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2-(4-(6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-methylpyridin-3-yl)phenyl)-7-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135905416
N-(pyrazin-2-yl)pyridine-4-carboxamide
CID 1247097
N11-Ethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453308
N11-Isopropyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453313
4,N11-Diethyl-5,11-dihydro-6H-dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one
CID 453335
Dipyridodiazepinone deriv. 21
CID 463148
Dipyridodiazepinone deriv. 35
CID 463555

Frequently Asked Questions

What is the IUPAC name of N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride (CID 66939123) is N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride is CN1CCC(N(C)c2cccc(NC(=O)c3ccncc3)n2)CC1.Cl.
What is the InChIKey of N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is ZYDIDNXINFBFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.ClH/c1-22-12-8-15(9-13-22)23(2)17-5-3-4-16(20-17)21-18(24)14-6-10-19-11-7-14;/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,20,21,24);1H.
What are the key properties of N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride?
N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 361.88 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[methyl-(1-methylpiperidin-4-yl)amino]-2-pyridinyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 66939123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).