N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

C23H31N5O2 — CID 95104938

IUPACN-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C23H31N5O2/c29-23(26-8-4-11-27-13-15-30-16-14-27)20-7-9-25-22(17-20)28-12-10-24-21(18-28)19-5-2-1-3-6-19/h1-3,5-7,9,17,21,24H,4,8,10-16,18H2,(H,26,29)/t21-/m1/s1
InChIKeyVLILMBNFPWCJQY-OAQYLSRUSA-N
MW409.53 g/mol
LogP1.68
Rot. Bonds7

About N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (PubChem CID 95104938) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
PubChem CID95104938
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C23H31N5O2/c29-23(26-8-4-11-27-13-15-30-16-14-27)20-7-9-25-22(17-20)28-12-10-24-21(18-28)19-5-2-1-3-6-19/h1-3,5-7,9,17,21,24H,4,8,10-16,18H2,(H,26,29)/t21-/m1/s1
InChIKeyVLILMBNFPWCJQY-OAQYLSRUSA-N
XLogP1.68
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpiperazin-1-yl)-N-propylpyridine-4-carboxamide
CID 53180668
N-[3-(dimethylamino)propyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104989
2-[(3R)-3-phenylpiperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 95104929
N-[(2-chlorophenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105024
N-[(4-ethylphenyl)methyl]-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105385
N-[3-(4-methylpiperidin-1-yl)propyl]-6-[(3R)-3-phenylpiperazin-1-yl]pyridine-3-carboxamide
CID 95105402
N-[(1-methylbenzimidazol-2-yl)methyl]-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105039
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 53180741
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
N,N-diethyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105030
N-(2-morpholin-4-ylethyl)-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117089399
N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95104988

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (CID 95104938) is N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is O=C(NCCCN1CCOCC1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is VLILMBNFPWCJQY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H31N5O2/c29-23(26-8-4-11-27-13-15-30-16-14-27)20-7-9-25-22(17-20)28-12-10-24-21(18-28)19-5-2-1-3-6-19/h1-3,5-7,9,17,21,24H,4,8,10-16,18H2,(H,26,29)/t21-/m1/s1.
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95104938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).