5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide

C17H28ClN5O2 — CID 11003173

IUPAC5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide
SMILESCCNc1nc(OC)c(C(=O)NC2CN(C)CCN(CC)C2)cc1Cl
InChIInChI=1S/C17H28ClN5O2/c1-5-19-15-14(18)9-13(17(21-15)25-4)16(24)20-12-10-22(3)7-8-23(6-2)11-12/h9,12H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,24)
InChIKeyKCVFDLHNTSZQNS-UHFFFAOYSA-N
MW369.90 g/mol
LogP1.54
Rot. Bonds6

About 5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide

5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide (PubChem CID 11003173) has the molecular formula C17H28ClN5O2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide
PubChem CID11003173
Molecular FormulaC17H28ClN5O2
Molecular Weight369.90 g/mol
Exact Mass369.19
IUPAC Name5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide
SMILESCCNc1nc(OC)c(C(=O)NC2CN(C)CCN(CC)C2)cc1Cl
InChIInChI=1S/C17H28ClN5O2/c1-5-19-15-14(18)9-13(17(21-15)25-4)16(24)20-12-10-22(3)7-8-23(6-2)11-12/h9,12H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,24)
InChIKeyKCVFDLHNTSZQNS-UHFFFAOYSA-N
XLogP1.54
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.90
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide (CID 11003173) is 5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide is CCNc1nc(OC)c(C(=O)NC2CN(C)CCN(CC)C2)cc1Cl.
What is the InChIKey of 5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
The InChIKey is KCVFDLHNTSZQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN5O2/c1-5-19-15-14(18)9-13(17(21-15)25-4)16(24)20-12-10-22(3)7-8-23(6-2)11-12/h9,12H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,24).
What are the key properties of 5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide has a molecular weight of 369.90 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(ethylamino)-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 11003173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).