N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride

C21H28Cl2N4O2 — CID 119556509

IUPACN-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)NCCC2CCCNC2)c1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C21H26N4O2.2ClH/c1-15-4-2-6-18(19(15)25-20(26)17-8-11-22-12-9-17)21(27)24-13-7-16-5-3-10-23-14-16;;/h2,4,6,8-9,11-12,16,23H,3,5,7,10,13-14H2,1H3,(H,24,27)(H,25,26);2*1H
InChIKeyYPCCPQDZARVUSG-UHFFFAOYSA-N
MW439.39 g/mol
LogP3.61
Rot. Bonds6

About N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride

N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119556509) has the molecular formula C21H28Cl2N4O2 and a molecular weight of 439.39 g/mol. Its IUPAC name is N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
PubChem CID119556509
Molecular FormulaC21H28Cl2N4O2
Molecular Weight439.39 g/mol
Exact Mass438.16
IUPAC NameN-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)NCCC2CCCNC2)c1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C21H26N4O2.2ClH/c1-15-4-2-6-18(19(15)25-20(26)17-8-11-22-12-9-17)21(27)24-13-7-16-5-3-10-23-14-16;;/h2,4,6,8-9,11-12,16,23H,3,5,7,10,13-14H2,1H3,(H,24,27)(H,25,26);2*1H
InChIKeyYPCCPQDZARVUSG-UHFFFAOYSA-N
XLogP3.61
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119461431
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119538084
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 120945860
N-[2-methyl-6-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 119551533
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
2-iodo-3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119534818
3-hydroxy-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide
CID 81445403
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
N-[2-[2-(cyclohexen-1-yl)ethylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide
CID 47802697
2-methyl-3-(3-methylbutan-2-ylamino)-N-(2-piperidin-3-ylethyl)benzamide;dihydrochloride
CID 119557753
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride (CID 119556509) is N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride is Cc1cccc(C(=O)NCCC2CCCNC2)c1NC(=O)c1ccncc1.Cl.Cl.
What is the InChIKey of N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is YPCCPQDZARVUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2.2ClH/c1-15-4-2-6-18(19(15)25-20(26)17-8-11-22-12-9-17)21(27)24-13-7-16-5-3-10-23-14-16;;/h2,4,6,8-9,11-12,16,23H,3,5,7,10,13-14H2,1H3,(H,24,27)(H,25,26);2*1H.
What are the key properties of N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride?
N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 439.39 g/mol, XLogP of 3.61, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119556509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).