N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide

C18H20F2N4O — CID 138052525

IUPACN-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide
SMILESCc1ccc(N(C(=O)c2cc(C(F)F)ncn2)C2CCCCC2)nc1
InChIInChI=1S/C18H20F2N4O/c1-12-7-8-16(21-10-12)24(13-5-3-2-4-6-13)18(25)15-9-14(17(19)20)22-11-23-15/h7-11,13,17H,2-6H2,1H3
InChIKeyVZJLQBZTRYYOQV-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.10
Rot. Bonds4

About N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide

N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 138052525) has the molecular formula C18H20F2N4O and a molecular weight of 346.38 g/mol. Its IUPAC name is N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide
PubChem CID138052525
Molecular FormulaC18H20F2N4O
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC NameN-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide
SMILESCc1ccc(N(C(=O)c2cc(C(F)F)ncn2)C2CCCCC2)nc1
InChIInChI=1S/C18H20F2N4O/c1-12-7-8-16(21-10-12)24(13-5-3-2-4-6-13)18(25)15-9-14(17(19)20)22-11-23-15/h7-11,13,17H,2-6H2,1H3
InChIKeyVZJLQBZTRYYOQV-UHFFFAOYSA-N
XLogP4.10
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide (CID 138052525) is N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide is Cc1ccc(N(C(=O)c2cc(C(F)F)ncn2)C2CCCCC2)nc1.
What is the InChIKey of N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is VZJLQBZTRYYOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O/c1-12-7-8-16(21-10-12)24(13-5-3-2-4-6-13)18(25)15-9-14(17(19)20)22-11-23-15/h7-11,13,17H,2-6H2,1H3.
What are the key properties of N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide?
N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(difluoromethyl)-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 138052525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).