N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride

C23H32Cl2N4O2 — CID 119887021

IUPACN-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCC(CC(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C23H30N4O2.2ClH/c1-17(19-7-11-24-12-8-19)15-22(28)26-16-18-3-5-21(6-4-18)27(2)23(29)20-9-13-25-14-10-20;;/h3-6,9-10,13-14,17,19,24H,7-8,11-12,15-16H2,1-2H3,(H,26,28);2*1H
InChIKeyLXIQXZIEBLRZGR-UHFFFAOYSA-N
MW467.44 g/mol
LogP3.84
Rot. Bonds7

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

N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride (PubChem CID 119887021) has the molecular formula C23H32Cl2N4O2 and a molecular weight of 467.44 g/mol. Its IUPAC name is N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
PubChem CID119887021
Molecular FormulaC23H32Cl2N4O2
Molecular Weight467.44 g/mol
Exact Mass466.19
IUPAC NameN-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
SMILESCC(CC(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C23H30N4O2.2ClH/c1-17(19-7-11-24-12-8-19)15-22(28)26-16-18-3-5-21(6-4-18)27(2)23(29)20-9-13-25-14-10-20;;/h3-6,9-10,13-14,17,19,24H,7-8,11-12,15-16H2,1-2H3,(H,26,28);2*1H
InChIKeyLXIQXZIEBLRZGR-UHFFFAOYSA-N
XLogP3.84
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.44
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870472
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-[[4-(methoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718138
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119734312
3-piperidin-4-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]butanamide
CID 119866382
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-methyl-N-[4-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887019
N-[[4-[methyl(pyridine-4-carbonyl)amino]phenyl]methyl]morpholine-2-carboxamide;dihydrochloride
CID 119887029
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride?
The IUPAC name of N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride (CID 119887021) is N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride is CC(CC(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride?
The InChIKey is LXIQXZIEBLRZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2.2ClH/c1-17(19-7-11-24-12-8-19)15-22(28)26-16-18-3-5-21(6-4-18)27(2)23(29)20-9-13-25-14-10-20;;/h3-6,9-10,13-14,17,19,24H,7-8,11-12,15-16H2,1-2H3,(H,26,28);2*1H.
What are the key properties of N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride?
N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride has a molecular weight of 467.44 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 119887021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).