N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide

C25H35N5O — CID 95105402

IUPACN-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)CC1
InChIInChI=1S/C25H35N5O/c1-20-10-15-29(16-11-20)14-5-12-27-25(31)22-8-9-24(28-18-22)30-17-13-26-23(19-30)21-6-3-2-4-7-21/h2-4,6-9,18,20,23,26H,5,10-17,19H2,1H3,(H,27,31)/t23-/m0/s1
InChIKeySWDPSGHHDIHFAU-QHCPKHFHSA-N
MW421.59 g/mol
LogP3.08
Rot. Bonds7

About N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide

N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide (PubChem CID 95105402) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
PubChem CID95105402
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC NameN-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
SMILESCC1CCN(CCCNC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)CC1
InChIInChI=1S/C25H35N5O/c1-20-10-15-29(16-11-20)14-5-12-27-25(31)22-8-9-24(28-18-22)30-17-13-26-23(19-30)21-6-3-2-4-7-21/h2-4,6-9,18,20,23,26H,5,10-17,19H2,1H3,(H,27,31)/t23-/m0/s1
InChIKeySWDPSGHHDIHFAU-QHCPKHFHSA-N
XLogP3.08
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 53.08
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

N-(3-methylbutyl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180758
N-ethyl-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105098
6-(3-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 53202881
6-[(3R)-3-phenylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 95105130
N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104938
1-[4-[6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 95105166
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-(3,4-dimethoxyphenyl)-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105106
6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56755506
N-[3-(4-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 100628883
(4-phenylpiperazin-1-yl)-[6-[(3R)-3-phenylpiperazin-1-yl]-3-pyridinyl]methanone
CID 95105158

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide (CID 95105402) is N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide is CC1CCN(CCCNC(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is SWDPSGHHDIHFAU-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H35N5O/c1-20-10-15-29(16-11-20)14-5-12-27-25(31)22-8-9-24(28-18-22)30-17-13-26-23(19-30)21-6-3-2-4-7-21/h2-4,6-9,18,20,23,26H,5,10-17,19H2,1H3,(H,27,31)/t23-/m0/s1.
What are the key properties of N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide?
N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 421.59 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95105402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).