N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide

C20H18N4O3S — CID 123295297

IUPACN-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-c3cccc(S(=O)(=O)C4CC4)c3)cn2)cn1
InChIInChI=1S/C20H18N4O3S/c1-13-21-11-16(12-22-13)20(25)24-19-8-5-15(10-23-19)14-3-2-4-18(9-14)28(26,27)17-6-7-17/h2-5,8-12,17H,6-7H2,1H3,(H,23,24,25)
InChIKeyIOUSCHMIPYKNLC-UHFFFAOYSA-N
MW394.46 g/mol
LogP3.04
Rot. Bonds5

About N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide

N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 123295297) has the molecular formula C20H18N4O3S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
PubChem CID123295297
Molecular FormulaC20H18N4O3S
Molecular Weight394.46 g/mol
Exact Mass394.11
IUPAC NameN-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-c3cccc(S(=O)(=O)C4CC4)c3)cn2)cn1
InChIInChI=1S/C20H18N4O3S/c1-13-21-11-16(12-22-13)20(25)24-19-8-5-15(10-23-19)14-3-2-4-18(9-14)28(26,27)17-6-7-17/h2-5,8-12,17H,6-7H2,1H3,(H,23,24,25)
InChIKeyIOUSCHMIPYKNLC-UHFFFAOYSA-N
XLogP3.04
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
CID 129240135
N-{5-[3-(cyclopropylamino)phenyl]pyridin-2-yl}-2-methylpyrimidine-5-carboxamide
CID 129240145
N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide
CID 129240157
2-methyl-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 129240165
N-(biphenyl-4-yl)pyrimidine-5-carboxamide
CID 129255085
2-[(3S)-3-aminopiperidin-1-yl]-4-(3-tert-butyl-5-methylsulfonylanilino)pyrimidine-5-carboxamide
CID 155682248
2-cyano-N-[1-(4-fluorophenyl)cyclopropyl]-4-[(3S)-3-[2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 57334593
N-(7-(isopropylsulfonyl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 57411324
6-cyclopropyl-N-[(4-methylsulfonylphenyl)methyl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
CID 165415225
2-({4-Amino-5-[4-(propan-2-YL)benzenesulfonyl]pyrimidin-2-YL}sulfanyl)-N-phenylpropanamide
CID 16021305
2-(methylamino)-N-(5-phenyl-2-pyridinyl)pyrimidine-5-carboxamide
CID 137642049
2-methyl-N-(5-thiophen-3-yl-2-pyridinyl)pyrimidine-5-carboxamide
CID 123226629

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide (CID 123295297) is N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(-c3cccc(S(=O)(=O)C4CC4)c3)cn2)cn1.
What is the InChIKey of N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is IOUSCHMIPYKNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3S/c1-13-21-11-16(12-22-13)20(25)24-19-8-5-15(10-23-19)14-3-2-4-18(9-14)28(26,27)17-6-7-17/h2-5,8-12,17H,6-7H2,1H3,(H,23,24,25).
What are the key properties of N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 394.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclopropylsulfonylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 123295297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).