N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide

C19H21ClN2O3 — CID 91815404

IUPACN-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(OCC2CCOCC2)nc1
InChIInChI=1S/C19H21ClN2O3/c20-17-4-1-14(2-5-17)11-22-19(23)16-3-6-18(21-12-16)25-13-15-7-9-24-10-8-15/h1-6,12,15H,7-11,13H2,(H,22,23)
InChIKeyBMEWAQXBOHJRLN-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.47
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide (PubChem CID 91815404) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
PubChem CID91815404
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccc(OCC2CCOCC2)nc1
InChIInChI=1S/C19H21ClN2O3/c20-17-4-1-14(2-5-17)11-22-19(23)16-3-6-18(21-12-16)25-13-15-7-9-24-10-8-15/h1-6,12,15H,7-11,13H2,(H,22,23)
InChIKeyBMEWAQXBOHJRLN-UHFFFAOYSA-N
XLogP3.47
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815405
N,N-dimethyl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815390
tert-butyl N-[3-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]propyl]carbamate
CID 91815444
N-[(4-fluorophenyl)methyl]-6-(oxolan-2-ylmethoxy)pyridine-3-carboxamide
CID 121017286
N-benzhydryl-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide
CID 91815403
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
6-(oxan-4-ylmethoxy)-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 91815413
methyl 2-[[6-(oxan-4-ylmethoxy)pyridine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 121017376
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 91625401
5-chloro-2-(oxolan-3-ylmethoxy)pyridine
CID 66234571
6-(cyclopropylmethoxy)pyridine-3-carbonyl chloride
CID 118481303
N-[[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]methyl]-4-(oxan-4-ylmethoxy)benzamide
CID 22246058

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide (CID 91815404) is N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccc(OCC2CCOCC2)nc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide?
The InChIKey is BMEWAQXBOHJRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c20-17-4-1-14(2-5-17)11-22-19(23)16-3-6-18(21-12-16)25-13-15-7-9-24-10-8-15/h1-6,12,15H,7-11,13H2,(H,22,23).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide has a molecular weight of 360.84 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 91815404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).