5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide

C19H22ClN3O2 — CID 133272354

IUPAC5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide
SMILESCc1ccccc1C1(CNc2ncc(C(N)=O)cc2Cl)CCOCC1
InChIInChI=1S/C19H22ClN3O2/c1-13-4-2-3-5-15(13)19(6-8-25-9-7-19)12-23-18-16(20)10-14(11-22-18)17(21)24/h2-5,10-11H,6-9,12H2,1H3,(H2,21,24)(H,22,23)
InChIKeyXLRBFNLKYZXXFL-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.30
Rot. Bonds5

About 5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide

5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide (PubChem CID 133272354) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide
PubChem CID133272354
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide
SMILESCc1ccccc1C1(CNc2ncc(C(N)=O)cc2Cl)CCOCC1
InChIInChI=1S/C19H22ClN3O2/c1-13-4-2-3-5-15(13)19(6-8-25-9-7-19)12-23-18-16(20)10-14(11-22-18)17(21)24/h2-5,10-11H,6-9,12H2,1H3,(H2,21,24)(H,22,23)
InChIKeyXLRBFNLKYZXXFL-UHFFFAOYSA-N
XLogP3.30
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-[(4-hydroxyoxan-4-yl)methylamino]pyridine-3-carboxamide
CID 133294647
6-[(1-benzylcyclopropyl)methylamino]-5-chloropyridine-3-carboxamide
CID 133395258
[5-chloro-6-[[1-(2-methoxyphenyl)cyclobutyl]methylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133491923
2-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 139000509
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 47071133
2-chloro-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]acetamide
CID 154856535
5-chloro-4-[[4-(2-methylphenyl)oxan-4-yl]methylamino]-1H-pyridazin-6-one
CID 133272314
N-methyl-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-sulfonamide
CID 133298695
3-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119749819
N-[[4-(2-methylphenyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133272336
3-(3-chlorophenyl)-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]propanamide
CID 86833759
7-amino-N-[[4-(2-methylphenyl)oxan-4-yl]methyl]heptanamide
CID 119749786

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide (CID 133272354) is 5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide is Cc1ccccc1C1(CNc2ncc(C(N)=O)cc2Cl)CCOCC1.
What is the InChIKey of 5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide?
The InChIKey is XLRBFNLKYZXXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2/c1-13-4-2-3-5-15(13)19(6-8-25-9-7-19)12-23-18-16(20)10-14(11-22-18)17(21)24/h2-5,10-11H,6-9,12H2,1H3,(H2,21,24)(H,22,23).
What are the key properties of 5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide?
5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[4-(2-methylphenyl)oxan-4-yl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133272354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).