N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C20H17N3O3S — CID 123896535

IUPACN-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cn1)C1CC1c1cccnc1
InChIInChI=1S/C20H17N3O3S/c24-20(18-11-17(18)14-5-4-10-21-12-14)23-19-9-8-16(13-22-19)27(25,26)15-6-2-1-3-7-15/h1-10,12-13,17-18H,11H2,(H,22,23,24)
InChIKeyJKVPYSRUTPLMSY-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.05
Rot. Bonds5

About N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide

N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 123896535) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID123896535
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)c2ccccc2)cn1)C1CC1c1cccnc1
InChIInChI=1S/C20H17N3O3S/c24-20(18-11-17(18)14-5-4-10-21-12-14)23-19-9-8-16(13-22-19)27(25,26)15-6-2-1-3-7-15/h1-10,12-13,17-18H,11H2,(H,22,23,24)
InChIKeyJKVPYSRUTPLMSY-UHFFFAOYSA-N
XLogP3.05
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(6-methyl-3-pyridinyl)sulfonyl]phenyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 123586966
trans-(1R,2R)-N-(4-phenyl-1,3-thiazol-5-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 119050510
cis-(1S,2R)-N-(1-anilino-2-methyl-1-oxopropan-2-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 95616875
cis-(1R,2S)-N-(4-acetylphenyl)sulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99638630
N-(4-morpholin-4-ylsulfonylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 90135037
trans-(1R,2R)-N-(8-amino-6-chloro-2,7-naphthyridin-3-yl)-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 135344396
3-(benzenesulfonyl)pyridine
CID 5147032
cis-(1S,2R)-N-isoquinolin-5-ylsulfonyl-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 99604975
trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 158709120
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 115627268
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363515

Frequently Asked Questions

What is the IUPAC name of N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 123896535) is N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is O=C(Nc1ccc(S(=O)(=O)c2ccccc2)cn1)C1CC1c1cccnc1.
What is the InChIKey of N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is JKVPYSRUTPLMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c24-20(18-11-17(18)14-5-4-10-21-12-14)23-19-9-8-16(13-22-19)27(25,26)15-6-2-1-3-7-15/h1-10,12-13,17-18H,11H2,(H,22,23,24).
What are the key properties of N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide?
N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(benzenesulfonyl)-2-pyridinyl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 123896535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).