6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide

C21H32N6O — CID 28737751

IUPAC6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1CN(C)c1ccc(C(=O)NCC[C@H]2CCCCN2C)cn1
InChIInChI=1S/C21H32N6O/c1-15-19(16(2)25-24-15)14-27(4)20-9-8-17(13-23-20)21(28)22-11-10-18-7-5-6-12-26(18)3/h8-9,13,18H,5-7,10-12,14H2,1-4H3,(H,22,28)(H,24,25)/t18-/m1/s1
InChIKeyUPJITLSQIRSVPN-GOSISDBHSA-N
MW384.53 g/mol
LogP2.66
Rot. Bonds7

About 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide

6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 28737751) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID28737751
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC Name6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
SMILESCc1n[nH]c(C)c1CN(C)c1ccc(C(=O)NCC[C@H]2CCCCN2C)cn1
InChIInChI=1S/C21H32N6O/c1-15-19(16(2)25-24-15)14-27(4)20-9-8-17(13-23-20)21(28)22-11-10-18-7-5-6-12-26(18)3/h8-9,13,18H,5-7,10-12,14H2,1-4H3,(H,22,28)(H,24,25)/t18-/m1/s1
InChIKeyUPJITLSQIRSVPN-GOSISDBHSA-N
XLogP2.66
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 28809620
6-(ethylamino)-N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 25374156
N-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-6-morpholin-4-ylpyridine-3-carboxamide
CID 25367128
6-(1,3-dihydroisoindol-2-yl)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide
CID 56741978
6-(imidazo[1,2-a]pyridin-3-ylmethylamino)-N-[2-(1-methylpiperidin-2-yl)ethyl]pyridine-3-carboxamide
CID 45199193
4-(2-aminopyrimidin-5-yl)-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 126443787
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
N-[2-(cycloheptylamino)ethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 119620220
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide
CID 45244073
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
N-[(1-methylpiperidin-2-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62173667
4-(4-cyano-2-pyridinyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 126447434

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide (CID 28737751) is 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide is Cc1n[nH]c(C)c1CN(C)c1ccc(C(=O)NCC[C@H]2CCCCN2C)cn1.
What is the InChIKey of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is UPJITLSQIRSVPN-GOSISDBHSA-N. The full InChI is InChI=1S/C21H32N6O/c1-15-19(16(2)25-24-15)14-27(4)20-9-8-17(13-23-20)21(28)22-11-10-18-7-5-6-12-26(18)3/h8-9,13,18H,5-7,10-12,14H2,1-4H3,(H,22,28)(H,24,25)/t18-/m1/s1.
What are the key properties of 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide?
6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 384.53 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 28737751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).