N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide

C14H12ClFN4O — CID 171758758

IUPACN-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2CC2C(=O)Nc2cc(Cl)ncn2)c1F
InChIInChI=1S/C14H12ClFN4O/c1-7-2-3-17-13(12(7)16)8-4-9(8)14(21)20-11-5-10(15)18-6-19-11/h2-3,5-6,8-9H,4H2,1H3,(H,18,19,20,21)
InChIKeyTUABTTOHDNQYMW-UHFFFAOYSA-N
MW306.73 g/mol
LogP2.71
Rot. Bonds3

About N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide

N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 171758758) has the molecular formula C14H12ClFN4O and a molecular weight of 306.73 g/mol. Its IUPAC name is N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID171758758
Molecular FormulaC14H12ClFN4O
Molecular Weight306.73 g/mol
Exact Mass306.07
IUPAC NameN-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCc1ccnc(C2CC2C(=O)Nc2cc(Cl)ncn2)c1F
InChIInChI=1S/C14H12ClFN4O/c1-7-2-3-17-13(12(7)16)8-4-9(8)14(21)20-11-5-10(15)18-6-19-11/h2-3,5-6,8-9H,4H2,1H3,(H,18,19,20,21)
InChIKeyTUABTTOHDNQYMW-UHFFFAOYSA-N
XLogP2.71
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-N-(6-chloropyrimidin-4-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132393
trans-(1S,2S)-2-(5-chloro-2-cyanophenyl)-N-(6-chloropyrimidin-4-yl)cyclopropane-1-carboxamide
CID 174027519
N-(6-chloropyrimidin-4-yl)cyclopropanecarboxamide;4-methylpyrimidine
CID 165133484
N-(6-chloropyrimidin-4-yl)-2,2-difluorocyclopropane-1-carboxamide
CID 165133353
(1S,6R)-6-[(6-chloropyrimidin-4-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114049218
cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 51458730
N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 115627268
trans-(1S,2S)-N-(4,6-dichloropyrimidin-2-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165131540
N-(6-chloropyrimidin-4-yl)acetamide;4,6-dichloropyrimidine
CID 160592150
trans-(1S,2S)-N-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165133476
3-chloro-N-(6-chloropyrimidin-4-yl)-2-fluorobenzamide
CID 114050036
trans-(1S,2S)-N-(5-chloropyridazin-3-yl)-2-(4-methylpyrimidin-2-yl)cyclopropane-1-carboxamide
CID 165132826

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide (CID 171758758) is N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide is Cc1ccnc(C2CC2C(=O)Nc2cc(Cl)ncn2)c1F.
What is the InChIKey of N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is TUABTTOHDNQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN4O/c1-7-2-3-17-13(12(7)16)8-4-9(8)14(21)20-11-5-10(15)18-6-19-11/h2-3,5-6,8-9H,4H2,1H3,(H,18,19,20,21).
What are the key properties of N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 306.73 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyrimidin-4-yl)-2-(3-fluoro-4-methyl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171758758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).