(2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide

C17H21N5OS — CID 94078379

IUPAC(2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)N1CCCCC[C@@H]1c1ccncc1
InChIInChI=1S/C17H21N5OS/c23-17(19-16-21-20-15(24-16)13-5-6-13)22-11-3-1-2-4-14(22)12-7-9-18-10-8-12/h7-10,13-14H,1-6,11H2,(H,19,21,23)/t14-/m1/s1
InChIKeyJVGNJRNDRSCDLD-CQSZACIVSA-N
MW343.46 g/mol
LogP3.96
Rot. Bonds3

About (2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide

(2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide (PubChem CID 94078379) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is (2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide
PubChem CID94078379
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name(2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESO=C(Nc1nnc(C2CC2)s1)N1CCCCC[C@@H]1c1ccncc1
InChIInChI=1S/C17H21N5OS/c23-17(19-16-21-20-15(24-16)13-5-6-13)22-11-3-1-2-4-14(22)12-7-9-18-10-8-12/h7-10,13-14H,1-6,11H2,(H,19,21,23)/t14-/m1/s1
InChIKeyJVGNJRNDRSCDLD-CQSZACIVSA-N
XLogP3.96
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
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CID 99794040
(2R)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661720
(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661719
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylacetamide
CID 135234210
N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 110894690
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-piperidin-1-ylacetamide
CID 29124369
(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
(2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 166314699
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 94796932
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide?
The IUPAC name of (2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide (CID 94078379) is (2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide?
The canonical SMILES for (2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide is O=C(Nc1nnc(C2CC2)s1)N1CCCCC[C@@H]1c1ccncc1.
What is the InChIKey of (2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide?
The InChIKey is JVGNJRNDRSCDLD-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5OS/c23-17(19-16-21-20-15(24-16)13-5-6-13)22-11-3-1-2-4-14(22)12-7-9-18-10-8-12/h7-10,13-14H,1-6,11H2,(H,19,21,23)/t14-/m1/s1.
What are the key properties of (2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide?
(2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide has a molecular weight of 343.46 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide is sourced from PubChem (CID 94078379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).