5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide

C15H24ClN5O2 — CID 10925901

IUPAC5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1nc(OC)c(C(=O)NC2CN(C)CCN(C)C2)cc1Cl
InChIInChI=1S/C15H24ClN5O2/c1-17-13-12(16)7-11(15(19-13)23-4)14(22)18-10-8-20(2)5-6-21(3)9-10/h7,10H,5-6,8-9H2,1-4H3,(H,17,19)(H,18,22)
InChIKeyFDLYNYJLMXYFOP-UHFFFAOYSA-N
MW341.84 g/mol
LogP0.76
Rot. Bonds4

About 5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide

5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide (PubChem CID 10925901) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is 5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide
PubChem CID10925901
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC Name5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide
SMILESCNc1nc(OC)c(C(=O)NC2CN(C)CCN(C)C2)cc1Cl
InChIInChI=1S/C15H24ClN5O2/c1-17-13-12(16)7-11(15(19-13)23-4)14(22)18-10-8-20(2)5-6-21(3)9-10/h7,10H,5-6,8-9H2,1-4H3,(H,17,19)(H,18,22)
InChIKeyFDLYNYJLMXYFOP-UHFFFAOYSA-N
XLogP0.76
TPSA69.73 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 ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide (CID 10925901) is 5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide is CNc1nc(OC)c(C(=O)NC2CN(C)CCN(C)C2)cc1Cl.
What is the InChIKey of 5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
The InChIKey is FDLYNYJLMXYFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5O2/c1-17-13-12(16)7-11(15(19-13)23-4)14(22)18-10-8-20(2)5-6-21(3)9-10/h7,10H,5-6,8-9H2,1-4H3,(H,17,19)(H,18,22).
What are the key properties of 5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide?
5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide has a molecular weight of 341.84 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(1,4-dimethyl-1,4-diazepan-6-yl)-2-methoxy-6-(methylamino)pyridine-3-carboxamide is sourced from PubChem (CID 10925901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).