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

C22H30Cl2N4O2 — CID 119870472

IUPACN-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCC(CC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-16(18-8-11-23-12-9-18)13-21(27)25-14-17-4-6-20(7-5-17)26-22(28)19-3-2-10-24-15-19;;/h2-7,10,15-16,18,23H,8-9,11-14H2,1H3,(H,25,27)(H,26,28);2*1H
InChIKeyCUZNKLPXTPTDEA-UHFFFAOYSA-N
MW453.41 g/mol
LogP3.82
Rot. Bonds7

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

N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119870472) has the molecular formula C22H30Cl2N4O2 and a molecular weight of 453.41 g/mol. Its IUPAC name is N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119870472
Molecular FormulaC22H30Cl2N4O2
Molecular Weight453.41 g/mol
Exact Mass452.17
IUPAC NameN-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCC(CC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C22H28N4O2.2ClH/c1-16(18-8-11-23-12-9-18)13-21(27)25-14-17-4-6-20(7-5-17)26-22(28)19-3-2-10-24-15-19;;/h2-7,10,15-16,18,23H,8-9,11-14H2,1H3,(H,25,27)(H,26,28);2*1H
InChIKeyCUZNKLPXTPTDEA-UHFFFAOYSA-N
XLogP3.82
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119887021
N-[4-[[(4-amino-3-methoxybutanoyl)amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 120596241
N-[(3-fluoro-4-pyridin-3-yloxyphenyl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119864547
N-[[4-(1-hydroxyethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119737467
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
N-[4-[(4-oxopentanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108925682
N-[4-[[[(2R)-piperidine-2-carbonyl]amino]methyl]phenyl]pyridine-3-carboxamide;dihydrochloride
CID 119870444
N-butyl-4-[(3-piperidin-4-ylbutanoylamino)methyl]benzamide;hydrochloride
CID 119734312
3-piperidin-4-yl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119696658
N-(naphthalen-2-ylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119715963
N-[[4-(ethoxymethyl)phenyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119718287
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride (CID 119870472) is N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride is CC(CC(=O)NCc1ccc(NC(=O)c2cccnc2)cc1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is CUZNKLPXTPTDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2.2ClH/c1-16(18-8-11-23-12-9-18)13-21(27)25-14-17-4-6-20(7-5-17)26-22(28)19-3-2-10-24-15-19;;/h2-7,10,15-16,18,23H,8-9,11-14H2,1H3,(H,25,27)(H,26,28);2*1H.
What are the key properties of N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride?
N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 453.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-piperidin-4-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119870472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).