N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide

C16H15ClN4O3 — CID 138026067

IUPACN-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CC(=O)N(c3ccccc3Cl)C2)ncn1
InChIInChI=1S/C16H15ClN4O3/c1-24-14-7-12(18-9-19-14)16(23)20-10-6-15(22)21(8-10)13-5-3-2-4-11(13)17/h2-5,7,9-10H,6,8H2,1H3,(H,20,23)
InChIKeyUPNUONQXJFBBFT-UHFFFAOYSA-N
MW346.77 g/mol
LogP1.67
Rot. Bonds4

About N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide

N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide (PubChem CID 138026067) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide
PubChem CID138026067
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC NameN-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide
SMILESCOc1cc(C(=O)NC2CC(=O)N(c3ccccc3Cl)C2)ncn1
InChIInChI=1S/C16H15ClN4O3/c1-24-14-7-12(18-9-19-14)16(23)20-10-6-15(22)21(8-10)13-5-3-2-4-11(13)17/h2-5,7,9-10H,6,8H2,1H3,(H,20,23)
InChIKeyUPNUONQXJFBBFT-UHFFFAOYSA-N
XLogP1.67
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-fluoropyridine-4-carboxamide
CID 95323518
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99937887
1-[[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]carbamoyl]cyclopent-3-ene-1-carboxylic acid
CID 146136082
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159175
N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119321878
N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95217188
1-(2-chlorophenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2967716
1-(2-chlorophenyl)-4-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 72848021
4-(2-chlorophenyl)-N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 16812468
(3R)-1-(2-chlorophenyl)-N-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 99787228
2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide
CID 7255708
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide (CID 138026067) is N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide is COc1cc(C(=O)NC2CC(=O)N(c3ccccc3Cl)C2)ncn1.
What is the InChIKey of N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide?
The InChIKey is UPNUONQXJFBBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-24-14-7-12(18-9-19-14)16(23)20-10-6-15(22)21(8-10)13-5-3-2-4-11(13)17/h2-5,7,9-10H,6,8H2,1H3,(H,20,23).
What are the key properties of N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide?
N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide has a molecular weight of 346.77 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-6-methoxypyrimidine-4-carboxamide is sourced from PubChem (CID 138026067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).