2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide

C14H13FN4O2 — CID 172605498

IUPAC2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide
SMILESCOc1ncc(F)cc1NC(=O)c1cnc(C2CC2)nc1
InChIInChI=1S/C14H13FN4O2/c1-21-14-11(4-10(15)7-18-14)19-13(20)9-5-16-12(17-6-9)8-2-3-8/h4-8H,2-3H2,1H3,(H,19,20)
InChIKeyFAECZEZACLGBRW-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.15
Rot. Bonds4

About 2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide

2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide (PubChem CID 172605498) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide
PubChem CID172605498
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide
SMILESCOc1ncc(F)cc1NC(=O)c1cnc(C2CC2)nc1
InChIInChI=1S/C14H13FN4O2/c1-21-14-11(4-10(15)7-18-14)19-13(20)9-5-16-12(17-6-9)8-2-3-8/h4-8H,2-3H2,1H3,(H,19,20)
InChIKeyFAECZEZACLGBRW-UHFFFAOYSA-N
XLogP2.15
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453
N-(2-methoxy-5-methyl-3-pyridinyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 136511798
2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
CID 131896599
methyl 3-(5-fluoro-2-methoxy-3-pyridinyl)prop-2-enoate
CID 169479055
3-fluoro-N-(2-methoxy-3-pyridinyl)benzamide
CID 47038518
2-cyclopropyl-N-[cyclopropyl(methyl)sulfamoyl]pyrimidine-5-carboxamide
CID 167824453
(5-iodo-2-methoxy-3-pyridinyl)carbamic acid
CID 118251524
N-(2-methoxy-5-methyl-3-pyridinyl)cyclopentanecarboxamide
CID 71983272
2-cyclopropyl-N-(1-methylindazol-5-yl)pyrimidine-5-carboxamide
CID 167977178
N-[5-(2-cyclopropylpyrimidin-5-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122589006
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
6-cyclopropyl-N-[4-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]-7-methoxyquinazolin-6-yl]pyridine-3-carboxamide
CID 169231227

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide (CID 172605498) is 2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide is COc1ncc(F)cc1NC(=O)c1cnc(C2CC2)nc1.
What is the InChIKey of 2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide?
The InChIKey is FAECZEZACLGBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-21-14-11(4-10(15)7-18-14)19-13(20)9-5-16-12(17-6-9)8-2-3-8/h4-8H,2-3H2,1H3,(H,19,20).
What are the key properties of 2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide?
2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(5-fluoro-2-methoxy-3-pyridinyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 172605498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).