N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

C17H19ClN4O — CID 109362803

IUPACN-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(Cl)c2C)cc(N2CCCC2)n1
InChIInChI=1S/C17H19ClN4O/c1-11-13(18)6-5-7-14(11)21-17(23)15-10-16(20-12(2)19-15)22-8-3-4-9-22/h5-7,10H,3-4,8-9H2,1-2H3,(H,21,23)
InChIKeyABIRZDJXBKKDDV-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.60
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109362803) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109362803
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(C(=O)Nc2cccc(Cl)c2C)cc(N2CCCC2)n1
InChIInChI=1S/C17H19ClN4O/c1-11-13(18)6-5-7-14(11)21-17(23)15-10-16(20-12(2)19-15)22-8-3-4-9-22/h5-7,10H,3-4,8-9H2,1-2H3,(H,21,23)
InChIKeyABIRZDJXBKKDDV-UHFFFAOYSA-N
XLogP3.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362787
N-(2,3-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365497
2-methyl-6-pyrrolidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109362855
6-(azepan-1-yl)-N-(2-ethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847686
2-methyl-6-piperidin-1-yl-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109363589
6-(azepan-1-yl)-N-(2-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112847694
N-(2,3-dimethylphenyl)-2-methyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109364171
N-(3-chloro-2-methylphenyl)-2-methyl-6-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109360491
N-(3-chloro-4-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362806
N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203910
N-(2,6-difluorophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362878
N-(2,6-difluorophenyl)-2-methyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363612

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109362803) is N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is Cc1nc(C(=O)Nc2cccc(Cl)c2C)cc(N2CCCC2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is ABIRZDJXBKKDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-11-13(18)6-5-7-14(11)21-17(23)15-10-16(20-12(2)19-15)22-8-3-4-9-22/h5-7,10H,3-4,8-9H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109362803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).