6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

C13H18ClN3O2 — CID 63707112

IUPAC6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-17(8-9-2-4-19-5-3-9)13(18)10-6-11(14)12(15)16-7-10/h6-7,9H,2-5,8H2,1H3,(H2,15,16)
InChIKeyNZKPPRSEIIPVDI-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.82
Rot. Bonds3

About 6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide

6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 63707112) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
PubChem CID63707112
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
SMILESCN(CC1CCOCC1)C(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C13H18ClN3O2/c1-17(8-9-2-4-19-5-3-9)13(18)10-6-11(14)12(15)16-7-10/h6-7,9H,2-5,8H2,1H3,(H2,15,16)
InChIKeyNZKPPRSEIIPVDI-UHFFFAOYSA-N
XLogP1.82
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(cyclobutylmethyl)-6-hydrazinyl-N-methylpyridine-3-carboxamide
CID 62854972
4-amino-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725878
5-chloro-N-methyl-2-(methylamino)-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 114923612
6-amino-5-chloro-N-cyclopropyl-N-ethylpyridine-3-carboxamide
CID 62155621
4-amino-3-fluoro-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63726052
3-amino-4-bromo-N-methyl-N-(oxan-4-ylmethyl)benzamide
CID 63725709
2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 55228397
5-bromo-N-methyl-N-(oxan-4-ylmethyl)thiophene-3-carboxamide
CID 63707382
6-amino-5-chloro-N-(1-cyclopropylethyl)-N-methylpyridine-3-carboxamide
CID 62156018
3-amino-5-fluoro-N,4-dimethyl-N-(oxan-4-ylmethyl)benzamide
CID 63727256
3-amino-N-methyl-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
CID 104742327
2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 103881825

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide (CID 63707112) is 6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is CN(CC1CCOCC1)C(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NZKPPRSEIIPVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-17(8-9-2-4-19-5-3-9)13(18)10-6-11(14)12(15)16-7-10/h6-7,9H,2-5,8H2,1H3,(H2,15,16).
What are the key properties of 6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide?
6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 63707112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).