N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide

C20H25N3O4 — CID 109185142

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NCC3CCCO3)cn2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-25-18-8-5-14(10-19(18)26-2)11-23-20(24)17-7-6-15(12-22-17)21-13-16-4-3-9-27-16/h5-8,10,12,16,21H,3-4,9,11,13H2,1-2H3,(H,23,24)
InChIKeyMTPVJDIRHNVUBT-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.62
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109185142) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID109185142
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(NCC3CCCO3)cn2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-25-18-8-5-14(10-19(18)26-2)11-23-20(24)17-7-6-15(12-22-17)21-13-16-4-3-9-27-16/h5-8,10,12,16,21H,3-4,9,11,13H2,1-2H3,(H,23,24)
InChIKeyMTPVJDIRHNVUBT-UHFFFAOYSA-N
XLogP2.62
TPSA81.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185120
5-(3,4-dimethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109185044
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045599
N-(2,5-dimethoxyphenyl)-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185219
5-(cyclopropylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109180086
2-[(3,4-dimethoxyphenyl)methylamino]-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109300914
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
N-[(2-methylphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185110
N-[(3,4-dimethoxyphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994259
N-[(2-chlorophenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109185117
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109188273
2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide (CID 109185142) is N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is COc1ccc(CNC(=O)c2ccc(NCC3CCCO3)cn2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is MTPVJDIRHNVUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-25-18-8-5-14(10-19(18)26-2)11-23-20(24)17-7-6-15(12-22-17)21-13-16-4-3-9-27-16/h5-8,10,12,16,21H,3-4,9,11,13H2,1-2H3,(H,23,24).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-(oxolan-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109185142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).