N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide

C18H19ClN4O2 — CID 28785782

IUPACN-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccn1
InChIInChI=1S/C18H19ClN4O2/c1-20-16-8-12(6-7-21-16)18(25)22-14-9-17(24)23(11-14)10-13-4-2-3-5-15(13)19/h2-8,14H,9-11H2,1H3,(H,20,21)(H,22,25)/t14-/m1/s1
InChIKeyBBVQVSWBACTGOG-CQSZACIVSA-N
MW358.83 g/mol
LogP2.31
Rot. Bonds5

About N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide

N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide (PubChem CID 28785782) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
PubChem CID28785782
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccn1
InChIInChI=1S/C18H19ClN4O2/c1-20-16-8-12(6-7-21-16)18(25)22-14-9-17(24)23(11-14)10-13-4-2-3-5-15(13)19/h2-8,14H,9-11H2,1H3,(H,20,21)(H,22,25)/t14-/m1/s1
InChIKeyBBVQVSWBACTGOG-CQSZACIVSA-N
XLogP2.31
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]quinoline-3-carboxamide
CID 95709758
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 45187441
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 45238063
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333932
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 26333935
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-1-benzofuran-2-carboxamide
CID 45177959
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 45226916
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 95710228
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]but-3-enamide
CID 42395266
N-[(3S)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 42394735
N-[1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-4,4,4-trifluorobutanamide
CID 45222736
2-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64669853

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide (CID 28785782) is N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccn1.
What is the InChIKey of N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is BBVQVSWBACTGOG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-20-16-8-12(6-7-21-16)18(25)22-14-9-17(24)23(11-14)10-13-4-2-3-5-15(13)19/h2-8,14H,9-11H2,1H3,(H,20,21)(H,22,25)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide?
N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 28785782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).