N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide

C24H24ClN3O2 — CID 26325914

IUPACN-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(CN2CCCC2)[nH]c1=O
InChIInChI=1S/C24H24ClN3O2/c25-19-10-8-18(9-11-19)22(17-6-2-1-3-7-17)27-24(30)21-13-12-20(26-23(21)29)16-28-14-4-5-15-28/h1-3,6-13,22H,4-5,14-16H2,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeyHBJJMOUNVARQAW-QFIPXVFZSA-N
MW421.93 g/mol
LogP4.14
Rot. Bonds6

About N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide

N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide (PubChem CID 26325914) has the molecular formula C24H24ClN3O2 and a molecular weight of 421.93 g/mol. Its IUPAC name is N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide
PubChem CID26325914
Molecular FormulaC24H24ClN3O2
Molecular Weight421.93 g/mol
Exact Mass421.16
IUPAC NameN-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(CN2CCCC2)[nH]c1=O
InChIInChI=1S/C24H24ClN3O2/c25-19-10-8-18(9-11-19)22(17-6-2-1-3-7-17)27-24(30)21-13-12-20(26-23(21)29)16-28-14-4-5-15-28/h1-3,6-13,22H,4-5,14-16H2,(H,26,29)(H,27,30)/t22-/m0/s1
InChIKeyHBJJMOUNVARQAW-QFIPXVFZSA-N
XLogP4.14
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.93
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide (CID 26325914) is N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide is O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(CN2CCCC2)[nH]c1=O.
What is the InChIKey of N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
The InChIKey is HBJJMOUNVARQAW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24ClN3O2/c25-19-10-8-18(9-11-19)22(17-6-2-1-3-7-17)27-24(30)21-13-12-20(26-23(21)29)16-28-14-4-5-15-28/h1-3,6-13,22H,4-5,14-16H2,(H,26,29)(H,27,30)/t22-/m0/s1.
What are the key properties of N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide?
N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide has a molecular weight of 421.93 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(4-chlorophenyl)-phenylmethyl]-2-oxo-6-(pyrrolidin-1-ylmethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 26325914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).