cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide

C17H14ClN5O — CID 96501804

IUPACcis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)[C@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O/c18-12-3-1-11(2-4-12)14-7-15(14)17(24)22-13-5-6-16(20-8-13)23-10-19-9-21-23/h1-6,8-10,14-15H,7H2,(H,22,24)/t14-,15-/m0/s1
InChIKeyHKKHDUNNONNWDR-GJZGRUSLSA-N
MW339.79 g/mol
LogP3.06
Rot. Bonds4

About cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 96501804) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID96501804
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Namecis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)[C@H]1C[C@H]1c1ccc(Cl)cc1
InChIInChI=1S/C17H14ClN5O/c18-12-3-1-11(2-4-12)14-7-15(14)17(24)22-13-5-6-16(20-8-13)23-10-19-9-21-23/h1-6,8-10,14-15H,7H2,(H,22,24)/t14-,15-/m0/s1
InChIKeyHKKHDUNNONNWDR-GJZGRUSLSA-N
XLogP3.06
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-(1R,2S)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383107
cis-(1S,2R)-2-(2-methoxyphenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 95383104
2-cyclopentyl-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 166240278
6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55561511
1-(4-chlorobenzoyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 55561062
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 51872526
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25336972
N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-9H-xanthene-9-carboxamide
CID 39992452
trans-(1R,2R)-2-(4-chlorophenyl)-N-(1-ethyl-6-oxopyrimidin-5-yl)cyclopropane-1-carboxamide
CID 166252428
4-chloro-2-methoxy-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]benzamide
CID 51095167
cis-(1S,2R)-2-(4-chlorophenyl)-N-pyrazin-2-ylcyclopropane-1-carboxamide
CID 40650433
cis-(1S,2R)-2-(4-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 95760685

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide (CID 96501804) is cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is O=C(Nc1ccc(-n2cncn2)nc1)[C@H]1C[C@H]1c1ccc(Cl)cc1.
What is the InChIKey of cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is HKKHDUNNONNWDR-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-12-3-1-11(2-4-12)14-7-15(14)17(24)22-13-5-6-16(20-8-13)23-10-19-9-21-23/h1-6,8-10,14-15H,7H2,(H,22,24)/t14-,15-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 339.79 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 96501804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).