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

C20H26Cl2N4O2 — CID 119461431

IUPACN-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)NCC2CCCNC2)c1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C20H24N4O2.2ClH/c1-14-4-2-6-17(20(26)23-13-15-5-3-9-22-12-15)18(14)24-19(25)16-7-10-21-11-8-16;;/h2,4,6-8,10-11,15,22H,3,5,9,12-13H2,1H3,(H,23,26)(H,24,25);2*1H
InChIKeyRXEKVYYBGPPFKQ-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.22
Rot. Bonds5

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

N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119461431) has the molecular formula C20H26Cl2N4O2 and a molecular weight of 425.36 g/mol. Its IUPAC name is N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
PubChem CID119461431
Molecular FormulaC20H26Cl2N4O2
Molecular Weight425.36 g/mol
Exact Mass424.14
IUPAC NameN-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCc1cccc(C(=O)NCC2CCCNC2)c1NC(=O)c1ccncc1.Cl.Cl
InChIInChI=1S/C20H24N4O2.2ClH/c1-14-4-2-6-17(20(26)23-13-15-5-3-9-22-12-15)18(14)24-19(25)16-7-10-21-11-8-16;;/h2,4,6-8,10-11,15,22H,3,5,9,12-13H2,1H3,(H,23,26)(H,24,25);2*1H
InChIKeyRXEKVYYBGPPFKQ-UHFFFAOYSA-N
XLogP3.22
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-6-(2-piperidin-3-ylethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119556509
N-[2-[(4-hydroxypyrrolidin-3-yl)methylcarbamoyl]-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 120945860
2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
N-[2-methyl-6-[methyl(pyrrolidin-3-yl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 119551533
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide
CID 119460242
2-[(4-methoxybenzoyl)amino]-N-(piperidin-3-ylmethyl)benzamide
CID 119464314
N-(piperidin-3-ylmethyl)quinoxaline-5-carboxamide
CID 104615453
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
CID 117235935
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride (CID 119461431) is N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride is Cc1cccc(C(=O)NCC2CCCNC2)c1NC(=O)c1ccncc1.Cl.Cl.
What is the InChIKey of N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is RXEKVYYBGPPFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2.2ClH/c1-14-4-2-6-17(20(26)23-13-15-5-3-9-22-12-15)18(14)24-19(25)16-7-10-21-11-8-16;;/h2,4,6-8,10-11,15,22H,3,5,9,12-13H2,1H3,(H,23,26)(H,24,25);2*1H.
What are the key properties of N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride?
N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 425.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119461431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).