N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide

C17H20N4O — CID 110226194

IUPACN,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ncc(-c2ccncc2)c(CN(C)C(=O)C2CC2C)n1
InChIInChI=1S/C17H20N4O/c1-11-8-14(11)17(22)21(3)10-16-15(9-19-12(2)20-16)13-4-6-18-7-5-13/h4-7,9,11,14H,8,10H2,1-3H3
InChIKeySXIFASNEQQIFOH-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.46
Rot. Bonds4

About N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide

N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 110226194) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID110226194
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ncc(-c2ccncc2)c(CN(C)C(=O)C2CC2C)n1
InChIInChI=1S/C17H20N4O/c1-11-8-14(11)17(22)21(3)10-16-15(9-19-12(2)20-16)13-4-6-18-7-5-13/h4-7,9,11,14H,8,10H2,1-3H3
InChIKeySXIFASNEQQIFOH-UHFFFAOYSA-N
XLogP2.46
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one
CID 16726085
(3-Fluoroazetidin-1-yl){1-[4-(4-fluorophenyl)pyrimidin-5-yl]piperidin-4-yl}methanone
CID 76283989
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-3-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
CID 10884041
N-[4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
CID 118716418
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid (2-ethyl-phenyl)-amide
CID 3221260
N-[(4-fluorophenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223222
UR-12670
CID 9867789
Cyclohexanecarboxylic acid [3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-amide
CID 10292737
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10523594
1-[4-[(2-Methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 10761157
3-Methyl-1-[4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-3-phenylbutan-1-one
CID 10810441
1-[4-(2-Methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 10812266

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide (CID 110226194) is N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide is Cc1ncc(-c2ccncc2)c(CN(C)C(=O)C2CC2C)n1.
What is the InChIKey of N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is SXIFASNEQQIFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-8-14(11)17(22)21(3)10-16-15(9-19-12(2)20-16)13-4-6-18-7-5-13/h4-7,9,11,14H,8,10H2,1-3H3.
What are the key properties of N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide?
N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 110226194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).