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

C15H24ClN5O2 — CID 10860791

IUPAC6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2cc(Cl)c(N)nc2OC)C1
InChIInChI=1S/C15H24ClN5O2/c1-4-21-6-5-20(2)8-10(9-21)18-14(22)11-7-12(16)13(17)19-15(11)23-3/h7,10H,4-6,8-9H2,1-3H3,(H2,17,19)(H,18,22)
InChIKeyNQAOXCXKUPNSLL-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.69
Rot. Bonds4

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

6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide (PubChem CID 10860791) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide
PubChem CID10860791
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC Name6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide
SMILESCCN1CCN(C)CC(NC(=O)c2cc(Cl)c(N)nc2OC)C1
InChIInChI=1S/C15H24ClN5O2/c1-4-21-6-5-20(2)8-10(9-21)18-14(22)11-7-12(16)13(17)19-15(11)23-3/h7,10H,4-6,8-9H2,1-3H3,(H2,17,19)(H,18,22)
InChIKeyNQAOXCXKUPNSLL-UHFFFAOYSA-N
XLogP0.69
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

5-Bromo-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 21852725
5-Bromo-2-methoxy-6-methylamino-N-(1-methyl-4-propyl-[1,4]diazepan-6-yl)-nicotinamide
CID 44375747
5-Bromo-N-(1,4-diethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10862569
5-Chloro-N-(1,4-diethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10915622
5-Chloro-2-ethoxy-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-6-methylamino-nicotinamide
CID 11760413
5-Bromo-N-(1-ethyl-4-propyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 44375753
5-Bromo-N-((R)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 9843910
5-Bromo-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10894643
6-amino-5-chloro-2-methoxy-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)pyridine-3-carboxamide
CID 11724735
5-Bromo-2-ethoxy-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-6-methylamino-nicotinamide
CID 10905751
5-Chloro-N-(1,4-dimethyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10925901
5-Chloro-N-((S)-1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-6-methylamino-nicotinamide
CID 10937177

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide (CID 10860791) is 6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide is CCN1CCN(C)CC(NC(=O)c2cc(Cl)c(N)nc2OC)C1.
What is the InChIKey of 6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
The InChIKey is NQAOXCXKUPNSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5O2/c1-4-21-6-5-20(2)8-10(9-21)18-14(22)11-7-12(16)13(17)19-15(11)23-3/h7,10H,4-6,8-9H2,1-3H3,(H2,17,19)(H,18,22).
What are the key properties of 6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide?
6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 10860791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).