6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide

C22H28N4O3 — CID 45221796

IUPAC6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(N3CCCC(C(N)=O)C3)nc2)cc1
InChIInChI=1S/C22H28N4O3/c1-29-19-9-6-16(7-10-19)4-2-12-24-22(28)17-8-11-20(25-14-17)26-13-3-5-18(15-26)21(23)27/h6-11,14,18H,2-5,12-13,15H2,1H3,(H2,23,27)(H,24,28)
InChIKeyBLYDIBXKEXIPTH-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.15
Rot. Bonds8

About 6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide

6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide (PubChem CID 45221796) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
PubChem CID45221796
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(N3CCCC(C(N)=O)C3)nc2)cc1
InChIInChI=1S/C22H28N4O3/c1-29-19-9-6-16(7-10-19)4-2-12-24-22(28)17-8-11-20(25-14-17)26-13-3-5-18(15-26)21(23)27/h6-11,14,18H,2-5,12-13,15H2,1H3,(H2,23,27)(H,24,28)
InChIKeyBLYDIBXKEXIPTH-UHFFFAOYSA-N
XLogP2.15
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(3R)-3-(aminomethyl)piperidin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 95226323
N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109159052
N-[3-(4-methoxyphenyl)propyl]-6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 29255180
6-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56742685
6-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide
CID 56755893
methyl 1-(5-carbamoyl-2-pyridinyl)piperidine-3-carboxylate
CID 115538439
1-[5-[(tert-butylamino)methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 80632237
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-[3-(4-methoxyphenyl)propyl]-6-[[(3R)-thiolan-3-yl]amino]pyridine-3-carboxamide
CID 95198085
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
6-(cyclopentylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 109152174
(3S)-1-(5-amino-2-pyridinyl)piperidine-3-carboxamide
CID 30115330

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide (CID 45221796) is 6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide is COc1ccc(CCCNC(=O)c2ccc(N3CCCC(C(N)=O)C3)nc2)cc1.
What is the InChIKey of 6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
The InChIKey is BLYDIBXKEXIPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-29-19-9-6-16(7-10-19)4-2-12-24-22(28)17-8-11-20(25-14-17)26-13-3-5-18(15-26)21(23)27/h6-11,14,18H,2-5,12-13,15H2,1H3,(H2,23,27)(H,24,28).
What are the key properties of 6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide?
6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 2.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbamoylpiperidin-1-yl)-N-[3-(4-methoxyphenyl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 45221796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).