N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide

C21H26N4O2 — CID 119893892

IUPACN-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide
SMILESCC(CC(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)C1CCNCC1
InChIInChI=1S/C21H26N4O2/c1-15(16-9-11-22-12-10-16)13-20(26)24-18-7-8-19(23-14-18)25-21(27)17-5-3-2-4-6-17/h2-8,14-16,22H,9-13H2,1H3,(H,24,26)(H,23,25,27)
InChIKeyFXHVHLDEWJTBJT-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.30
Rot. Bonds6

About N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide

N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide (PubChem CID 119893892) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide
PubChem CID119893892
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide
SMILESCC(CC(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)C1CCNCC1
InChIInChI=1S/C21H26N4O2/c1-15(16-9-11-22-12-10-16)13-20(26)24-18-7-8-19(23-14-18)25-21(27)17-5-3-2-4-6-17/h2-8,14-16,22H,9-13H2,1H3,(H,24,26)(H,23,25,27)
InChIKeyFXHVHLDEWJTBJT-UHFFFAOYSA-N
XLogP3.30
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-benzamido-3-pyridinyl)piperidine-4-carboxamide
CID 119893870
N-cyclopropyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119698553
N-ethyl-4-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119714137
N-[6-(4-fluorophenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119849102
3-[[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]oxy]benzamide;dihydrochloride
CID 119872984
N-[6-(4-methoxyphenoxy)-3-pyridinyl]-3-piperidin-4-ylbutanamide
CID 119893842
N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119740430
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
CID 119700701
N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879371
methyl 4-(3-piperidin-4-ylbutanoylamino)benzoate
CID 119671385
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide?
The IUPAC name of N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide (CID 119893892) is N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide.
What is the SMILES notation for N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide?
The canonical SMILES for N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide is CC(CC(=O)Nc1ccc(NC(=O)c2ccccc2)nc1)C1CCNCC1.
What is the InChIKey of N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide?
The InChIKey is FXHVHLDEWJTBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15(16-9-11-22-12-10-16)13-20(26)24-18-7-8-19(23-14-18)25-21(27)17-5-3-2-4-6-17/h2-8,14-16,22H,9-13H2,1H3,(H,24,26)(H,23,25,27).
What are the key properties of N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide?
N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide has a molecular weight of 366.47 g/mol, XLogP of 3.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-piperidin-4-ylbutanoylamino)-2-pyridinyl]benzamide is sourced from PubChem (CID 119893892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).