6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide

C19H22ClN3O3 — CID 166213173

IUPAC6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N)c(Cl)c2)cc1OCC1CCOCC1
InChIInChI=1S/C19H22ClN3O3/c1-12-2-3-15(9-17(12)26-11-13-4-6-25-7-5-13)23-19(24)14-8-16(20)18(21)22-10-14/h2-3,8-10,13H,4-7,11H2,1H3,(H2,21,22)(H,23,24)
InChIKeyAXUBIIRNRBBGFA-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.68
Rot. Bonds5

About 6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide

6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 166213173) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide
PubChem CID166213173
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cnc(N)c(Cl)c2)cc1OCC1CCOCC1
InChIInChI=1S/C19H22ClN3O3/c1-12-2-3-15(9-17(12)26-11-13-4-6-25-7-5-13)23-19(24)14-8-16(20)18(21)22-10-14/h2-3,8-10,13H,4-7,11H2,1H3,(H2,21,22)(H,23,24)
InChIKeyAXUBIIRNRBBGFA-UHFFFAOYSA-N
XLogP3.68
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976327
6-amino-5-chloro-N-(4-methylphenyl)pyridine-3-carboxamide
CID 62154043
6-amino-5-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-carboxamide
CID 62811763
2-methyl-3-(methylamino)-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]propanamide;hydrochloride
CID 119797808
3,3-dimethyl-5-[4-methyl-3-(oxan-4-ylmethoxy)anilino]-5-oxopentanoic acid
CID 119137975
1-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-3-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 126791849
1-[[4-methyl-3-(oxan-4-ylmethoxy)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122085465
4-hydroxy-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyrrolidine-2-carboxamide
CID 119797799
6-amino-5-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 63707112
6-amino-5-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 62153748
N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939630
6-amino-5-chloro-N-(cyclobutylmethyl)pyridine-3-carboxamide
CID 62155457

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide (CID 166213173) is 6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cnc(N)c(Cl)c2)cc1OCC1CCOCC1.
What is the InChIKey of 6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is AXUBIIRNRBBGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-12-2-3-15(9-17(12)26-11-13-4-6-25-7-5-13)23-19(24)14-8-16(20)18(21)22-10-14/h2-3,8-10,13H,4-7,11H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide?
6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-[4-methyl-3-(oxan-4-ylmethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 166213173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).