5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide

C17H28ClN5O2 — CID 11760413

IUPAC5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide
SMILESCCOc1nc(NC)c(Cl)cc1C(=O)NC1CN(C)CCN(CC)C1
InChIInChI=1S/C17H28ClN5O2/c1-5-23-8-7-22(4)10-12(11-23)20-16(24)13-9-14(18)15(19-3)21-17(13)25-6-2/h9,12H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,24)
InChIKeyZTPVDGKFYZMLHZ-UHFFFAOYSA-N
MW369.90 g/mol
LogP1.54
Rot. Bonds6

About 5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide

5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide (PubChem CID 11760413) has the molecular formula C17H28ClN5O2 and a molecular weight of 369.90 g/mol. Its IUPAC name is 5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide
PubChem CID11760413
Molecular FormulaC17H28ClN5O2
Molecular Weight369.90 g/mol
Exact Mass369.19
IUPAC Name5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide
SMILESCCOc1nc(NC)c(Cl)cc1C(=O)NC1CN(C)CCN(CC)C1
InChIInChI=1S/C17H28ClN5O2/c1-5-23-8-7-22(4)10-12(11-23)20-16(24)13-9-14(18)15(19-3)21-17(13)25-6-2/h9,12H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,24)
InChIKeyZTPVDGKFYZMLHZ-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

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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-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
6-Amino-5-chloro-N-(1-ethyl-4-methyl-[1,4]diazepan-6-yl)-2-methoxy-nicotinamide
CID 10860791
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 5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide (CID 11760413) is 5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide is CCOc1nc(NC)c(Cl)cc1C(=O)NC1CN(C)CCN(CC)C1.
What is the InChIKey of 5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is ZTPVDGKFYZMLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN5O2/c1-5-23-8-7-22(4)10-12(11-23)20-16(24)13-9-14(18)15(19-3)21-17(13)25-6-2/h9,12H,5-8,10-11H2,1-4H3,(H,19,21)(H,20,24).
What are the key properties of 5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide?
5-chloro-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-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-2-ethoxy-N-(1-ethyl-4-methyl-1,4-diazepan-6-yl)-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 11760413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).