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

C20H18N4O — CID 129240135

IUPACN-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-c3cccc(C4CC4)c3)cn2)cn1
InChIInChI=1S/C20H18N4O/c1-13-21-11-18(12-22-13)20(25)24-19-8-7-17(10-23-19)16-4-2-3-15(9-16)14-5-6-14/h2-4,7-12,14H,5-6H2,1H3,(H,23,24,25)
InChIKeyZFDSVPIYMGLGBE-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.98
Rot. Bonds4

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

N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 129240135) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
PubChem CID129240135
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)Nc2ccc(-c3cccc(C4CC4)c3)cn2)cn1
InChIInChI=1S/C20H18N4O/c1-13-21-11-18(12-22-13)20(25)24-19-8-7-17(10-23-19)16-4-2-3-15(9-16)14-5-6-14/h2-4,7-12,14H,5-6H2,1H3,(H,23,24,25)
InChIKeyZFDSVPIYMGLGBE-UHFFFAOYSA-N
XLogP3.98
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-(2-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}ethyl)pyrimidine-5-carboxamide
CID 16108893
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
Pyrido[2,3-d]pyrimidin-7-one deriv. 26
CID 5328639
2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide
CID 145946079
2-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)benzamide
CID 4436165
6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 44527525
Pyrido[2,3-d]pyrimidin-7-one deriv. 53
CID 5328649
4-[(4-{2-[(2,2-Dimethylpropyl)amino]-2-Oxoethyl}phenyl)amino]-2-Phenylpyrimidine-5-Carboxamide
CID 71741428
6-cyclopropyl-3-(pyrimidin-5-ylamino)-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 165415067
1-[2-Amino-6-(3,5-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329121

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide (CID 129240135) is N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide is Cc1ncc(C(=O)Nc2ccc(-c3cccc(C4CC4)c3)cn2)cn1.
What is the InChIKey of N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is ZFDSVPIYMGLGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-21-11-18(12-22-13)20(25)24-19-8-7-17(10-23-19)16-4-2-3-15(9-16)14-5-6-14/h2-4,7-12,14H,5-6H2,1H3,(H,23,24,25).
What are the key properties of N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide?
N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-cyclopropylphenyl)-2-pyridinyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 129240135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).