5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide

C16H26ClN5O2 — CID 10937177

IUPAC5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide
SMILESCCN1CCN(C)C[C@H](NC(=O)c2cc(Cl)c(NC)nc2OC)C1
InChIInChI=1S/C16H26ClN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m0/s1
InChIKeyUXEPXLWCTJUUTO-NSHDSACASA-N
MW355.87 g/mol
LogP1.15
Rot. Bonds5

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

5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide (PubChem CID 10937177) has the molecular formula C16H26ClN5O2 and a molecular weight of 355.87 g/mol. Its IUPAC name is 5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide
PubChem CID10937177
Molecular FormulaC16H26ClN5O2
Molecular Weight355.87 g/mol
Exact Mass355.18
IUPAC Name5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide
SMILESCCN1CCN(C)C[C@H](NC(=O)c2cc(Cl)c(NC)nc2OC)C1
InChIInChI=1S/C16H26ClN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m0/s1
InChIKeyUXEPXLWCTJUUTO-NSHDSACASA-N
XLogP1.15
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide (CID 10937177) is 5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide is CCN1CCN(C)C[C@H](NC(=O)c2cc(Cl)c(NC)nc2OC)C1.
What is the InChIKey of 5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is UXEPXLWCTJUUTO-NSHDSACASA-N. The full InChI is InChI=1S/C16H26ClN5O2/c1-5-22-7-6-21(3)9-11(10-22)19-15(23)12-8-13(17)14(18-2)20-16(12)24-4/h8,11H,5-7,9-10H2,1-4H3,(H,18,20)(H,19,23)/t11-/m0/s1.
What are the key properties of 5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 355.87 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(6S)-1-ethyl-4-methyl-1,4-diazepan-6-yl]-2-methoxy-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10937177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).