(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide

C17H21N5O2 — CID 99794040

IUPAC(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)nn1
InChIInChI=1S/C17H21N5O2/c1-24-16-7-6-15(20-21-16)19-17(23)22-12-4-2-3-5-14(22)13-8-10-18-11-9-13/h6-11,14H,2-5,12H2,1H3,(H,19,20,23)/t14-/m0/s1
InChIKeyFJHUQVWVHUEFPY-AWEZNQCLSA-N
MW327.39 g/mol
LogP3.03
Rot. Bonds3

About (2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide

(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide (PubChem CID 99794040) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide
PubChem CID99794040
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)nn1
InChIInChI=1S/C17H21N5O2/c1-24-16-7-6-15(20-21-16)19-17(23)22-12-4-2-3-5-14(22)13-8-10-18-11-9-13/h6-11,14H,2-5,12H2,1H3,(H,19,20,23)/t14-/m0/s1
InChIKeyFJHUQVWVHUEFPY-AWEZNQCLSA-N
XLogP3.03
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87003003
N-(6-methoxypyridazin-3-yl)-5-oxo-7-phenyl-1,4-diazepane-1-carboxamide
CID 102562775
(2R)-N-(4-fluoro-3-methoxyphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 124619097
(2S)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661719
(2R)-N-(1H-pyrazol-4-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94661720
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
(2R)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078379
(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
(2S)-N-[6-(dimethylamino)-3-pyridinyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 94796932
N-(4-hydroxycyclohexyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 110894690
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
(2R)-2-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)azepane-1-carboxamide
CID 93076688

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide?
The IUPAC name of (2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide (CID 99794040) is (2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide.
What is the SMILES notation for (2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide?
The canonical SMILES for (2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide is COc1ccc(NC(=O)N2CCCCC[C@H]2c2ccncc2)nn1.
What is the InChIKey of (2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide?
The InChIKey is FJHUQVWVHUEFPY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-24-16-7-6-15(20-21-16)19-17(23)22-12-4-2-3-5-14(22)13-8-10-18-11-9-13/h6-11,14H,2-5,12H2,1H3,(H,19,20,23)/t14-/m0/s1.
What are the key properties of (2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide?
(2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-methoxypyridazin-3-yl)-2-pyridin-4-ylazepane-1-carboxamide is sourced from PubChem (CID 99794040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).