5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C17H19ClN4O2 — CID 87028695

IUPAC5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-11-5-6-13(14(9-11)24-2)20-16(23)15-12(18)10-19-17(21-15)22-7-3-4-8-22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,23)
InChIKeyKQLCIJNFSCSQDE-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.30
Rot. Bonds4

About 5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 87028695) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID87028695
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1nc(N2CCCC2)ncc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-11-5-6-13(14(9-11)24-2)20-16(23)15-12(18)10-19-17(21-15)22-7-3-4-8-22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,23)
InChIKeyKQLCIJNFSCSQDE-UHFFFAOYSA-N
XLogP3.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoyl-2-methylphenyl)-5-chloro-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47047164
N-(2,4-dimethoxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959514
5-chloro-N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55807381
5-chloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55777588
5-chloro-N-(3-iodophenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55736428
5-chloro-N-cycloheptyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51116278
5-chloro-N-(5-methyl-2-phenylpyrazol-3-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 138993580
5-chloro-N-[2-[(4-chlorophenyl)carbamoyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 55772981
5-chloro-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 51958616
N-(2-methoxy-4-methylphenyl)-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 87028674
5-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47045712
N-(2-bromo-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249495

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 87028695) is 5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is COc1cc(C)ccc1NC(=O)c1nc(N2CCCC2)ncc1Cl.
What is the InChIKey of 5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is KQLCIJNFSCSQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-11-5-6-13(14(9-11)24-2)20-16(23)15-12(18)10-19-17(21-15)22-7-3-4-8-22/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,20,23).
What are the key properties of 5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 87028695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).