N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

C18H19ClN2O4 — CID 170505961

IUPACN-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)NCc1ncccc1Cl
InChIInChI=1S/C18H19ClN2O4/c1-11-9-15(12-4-7-24-8-5-12)25-18(23)16(11)17(22)21-10-14-13(19)3-2-6-20-14/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,21,22)
InChIKeyAAERSTUYTZWVEE-UHFFFAOYSA-N
MW362.81 g/mol
LogP2.82
Rot. Bonds4

About N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide

N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (PubChem CID 170505961) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
PubChem CID170505961
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC NameN-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)NCc1ncccc1Cl
InChIInChI=1S/C18H19ClN2O4/c1-11-9-15(12-4-7-24-8-5-12)25-18(23)16(11)17(22)21-10-14-13(19)3-2-6-20-14/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,21,22)
InChIKeyAAERSTUYTZWVEE-UHFFFAOYSA-N
XLogP2.82
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-(oxan-4-yl)-2-oxo-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]pyran-3-carboxamide
CID 170509325
4-methyl-6-(oxan-4-yl)-2-oxo-N-[3-(triazol-1-yl)propyl]pyran-3-carboxamide
CID 170513085
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511810
4-methyl-6-(oxan-4-yl)-2-oxo-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyran-3-carboxamide
CID 170513109
N-[(2-chloro-6-fluorophenyl)methyl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170504651
4-methyl-N-(2-methylbenzotriazol-4-yl)-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170511961
6-cyclobutyl-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510129
6-cyclobutyl-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-4-methyl-2-oxopyran-3-carboxamide
CID 170510643
4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride
CID 171709744
4-methyl-2-oxo-6-piperidin-3-yl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyran-3-carboxamide;hydrochloride
CID 171707282
N-(2-butan-2-yl-5-methylpyrazol-3-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505934
6-cyclobutyl-4-methyl-2-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]pyran-3-carboxamide
CID 170502685

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The IUPAC name of N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide (CID 170505961) is N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide.
What is the SMILES notation for N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The canonical SMILES for N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)NCc1ncccc1Cl.
What is the InChIKey of N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
The InChIKey is AAERSTUYTZWVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-11-9-15(12-4-7-24-8-5-12)25-18(23)16(11)17(22)21-10-14-13(19)3-2-6-20-14/h2-3,6,9,12H,4-5,7-8,10H2,1H3,(H,21,22).
What are the key properties of N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide?
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide has a molecular weight of 362.81 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide is sourced from PubChem (CID 170505961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).