1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide

C19H17FN4O — CID 56815888

IUPAC1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H17FN4O/c1-13-21-10-11-24(13)17-7-6-16(12-22-17)23-18(25)19(8-9-19)14-2-4-15(20)5-3-14/h2-7,10-12H,8-9H2,1H3,(H,23,25)
InChIKeyBWHHIEQNOZQBHD-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.39
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 56815888) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID56815888
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC Name1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCc1nccn1-c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C19H17FN4O/c1-13-21-10-11-24(13)17-7-6-16(12-22-17)23-18(25)19(8-9-19)14-2-4-15(20)5-3-14/h2-7,10-12H,8-9H2,1H3,(H,23,25)
InChIKeyBWHHIEQNOZQBHD-UHFFFAOYSA-N
XLogP3.39
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 56815888) is 1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is Cc1nccn1-c1ccc(NC(=O)C2(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is BWHHIEQNOZQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-13-21-10-11-24(13)17-7-6-16(12-22-17)23-18(25)19(8-9-19)14-2-4-15(20)5-3-14/h2-7,10-12H,8-9H2,1H3,(H,23,25).
What are the key properties of 1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56815888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).