N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide

C18H21N3O2 — CID 109228985

IUPACN-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(NCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-21(16-6-3-2-4-7-16)18(22)14-10-15(12-19-11-14)20-13-17-8-5-9-23-17/h2-4,6-7,10-12,17,20H,5,8-9,13H2,1H3
InChIKeyWJYGBJAWFCSWBP-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.95
Rot. Bonds5

About N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide

N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide (PubChem CID 109228985) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide
PubChem CID109228985
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide
SMILESCN(C(=O)c1cncc(NCC2CCCO2)c1)c1ccccc1
InChIInChI=1S/C18H21N3O2/c1-21(16-6-3-2-4-7-16)18(22)14-10-15(12-19-11-14)20-13-17-8-5-9-23-17/h2-4,6-7,10-12,17,20H,5,8-9,13H2,1H3
InChIKeyWJYGBJAWFCSWBP-UHFFFAOYSA-N
XLogP2.95
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-(oxolan-2-ylmethylamino)-N-phenylpyridazine-3-carboxamide
CID 109114873
5-(benzylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109231849
3-N-methyl-5-N-(oxolan-2-ylmethyl)pyridine-3,5-diamine
CID 104532738
N-methyl-5-(2-morpholin-4-ylethylamino)-N-phenylpyridine-3-carboxamide
CID 109229643
N-(furan-2-ylmethyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228917
N-cyclohexyl-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109226638
5-(oxolan-2-ylmethylamino)-N-(2-phenoxyphenyl)pyridine-3-carboxamide
CID 109229065
1-methyl-3-[[(2R)-oxolan-2-yl]methyl]-1-phenylthiourea
CID 8620096
5-N-benzyl-5-N-methyl-3-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103893
N-(3-fluorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229052
N-(3,5-dichlorophenyl)-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109229072
N-[2-(4-chlorophenyl)ethyl]-5-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109228950

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide?
The IUPAC name of N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide (CID 109228985) is N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide is CN(C(=O)c1cncc(NCC2CCCO2)c1)c1ccccc1.
What is the InChIKey of N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide?
The InChIKey is WJYGBJAWFCSWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21(16-6-3-2-4-7-16)18(22)14-10-15(12-19-11-14)20-13-17-8-5-9-23-17/h2-4,6-7,10-12,17,20H,5,8-9,13H2,1H3.
What are the key properties of N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide?
N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(oxolan-2-ylmethylamino)-N-phenylpyridine-3-carboxamide is sourced from PubChem (CID 109228985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).