(6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide

C17H25N5O2 — CID 124993865

IUPAC(6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCN1CCN(C(=O)c2ccnc(N3CCCC3)c2)C[C@@H](C(N)=O)C1
InChIInChI=1S/C17H25N5O2/c1-20-8-9-22(12-14(11-20)16(18)23)17(24)13-4-5-19-15(10-13)21-6-2-3-7-21/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H2,18,23)/t14-/m0/s1
InChIKeyQAVTZSGYRMHZPG-AWEZNQCLSA-N
MW331.42 g/mol
LogP0.17
Rot. Bonds3

About (6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide

(6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide (PubChem CID 124993865) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide
PubChem CID124993865
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name(6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCN1CCN(C(=O)c2ccnc(N3CCCC3)c2)C[C@@H](C(N)=O)C1
InChIInChI=1S/C17H25N5O2/c1-20-8-9-22(12-14(11-20)16(18)23)17(24)13-4-5-19-15(10-13)21-6-2-3-7-21/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H2,18,23)/t14-/m0/s1
InChIKeyQAVTZSGYRMHZPG-AWEZNQCLSA-N
XLogP0.17
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-aminopiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone
CID 119381223
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110108021
[2-(azepan-1-yl)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174556
(3-methylpiperidin-1-yl)-[2-(3-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109175718
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methanone;dihydrochloride
CID 120659972
[2-(azepan-1-yl)-4-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109173653
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
(6R)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964373
(6S)-1-methyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 124964374
[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 124996183
(2-methylpiperidin-1-yl)-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 84574688

Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide?
The IUPAC name of (6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide (CID 124993865) is (6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide is CN1CCN(C(=O)c2ccnc(N3CCCC3)c2)C[C@@H](C(N)=O)C1.
What is the InChIKey of (6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide?
The InChIKey is QAVTZSGYRMHZPG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-20-8-9-22(12-14(11-20)16(18)23)17(24)13-4-5-19-15(10-13)21-6-2-3-7-21/h4-5,10,14H,2-3,6-9,11-12H2,1H3,(H2,18,23)/t14-/m0/s1.
What are the key properties of (6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide?
(6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-4-(2-pyrrolidin-1-ylpyridine-4-carbonyl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124993865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).