2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide

C14H17ClF2N4O — CID 150982551

IUPAC2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCC(F)(F)CC2)nc(Cl)n1
InChIInChI=1S/C14H17ClF2N4O/c15-13-19-10(12(22)18-8-9-1-2-9)7-11(20-13)21-5-3-14(16,17)4-6-21/h7,9H,1-6,8H2,(H,18,22)
InChIKeyLQKFSUFIVFCECD-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.51
Rot. Bonds4

About 2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide

2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide (PubChem CID 150982551) has the molecular formula C14H17ClF2N4O and a molecular weight of 330.77 g/mol. Its IUPAC name is 2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide
PubChem CID150982551
Molecular FormulaC14H17ClF2N4O
Molecular Weight330.77 g/mol
Exact Mass330.11
IUPAC Name2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide
SMILESO=C(NCC1CC1)c1cc(N2CCC(F)(F)CC2)nc(Cl)n1
InChIInChI=1S/C14H17ClF2N4O/c15-13-19-10(12(22)18-8-9-1-2-9)7-11(20-13)21-5-3-14(16,17)4-6-21/h7,9H,1-6,8H2,(H,18,22)
InChIKeyLQKFSUFIVFCECD-UHFFFAOYSA-N
XLogP2.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(cyclopropylmethyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 150620590
methyl 6-(4,4-difluoropiperidin-1-yl)-4-methylpyridine-2-carboxylate
CID 169238594
6-chloro-N-[(4,4-difluorocyclohexyl)methyl]-2-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]quinoline-5-carboxamide
CID 118566547
N-(cyclopropylmethyl)-2-[2-(2-methoxyphenyl)ethyl-methylamino]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 148916671
3-chloro-N-[[1-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]piperidin-4-yl]methyl]-5-fluorobenzamide
CID 170152788
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide
CID 151421558
2-chloro-6-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]piperidin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
CID 87504869
6-[4-(5-amino-6-carbamoyl-2-pyridinyl)piperidin-1-yl]-2-chloro-N-(1-hydroxypropan-2-yl)pyrimidine-4-carboxamide
CID 145103464
5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 166045151
N-(cyclobutylmethyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 95756562
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
2-chloro-6-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-4-carboxamide
CID 114219602

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide (CID 150982551) is 2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide is O=C(NCC1CC1)c1cc(N2CCC(F)(F)CC2)nc(Cl)n1.
What is the InChIKey of 2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is LQKFSUFIVFCECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF2N4O/c15-13-19-10(12(22)18-8-9-1-2-9)7-11(20-13)21-5-3-14(16,17)4-6-21/h7,9H,1-6,8H2,(H,18,22).
What are the key properties of 2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide?
2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 330.77 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclopropylmethyl)-6-(4,4-difluoropiperidin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 150982551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).