N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide

C21H22N4O2 — CID 51130329

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1cccnc1Oc1cccnc1
InChIInChI=1S/C21H22N4O2/c1-25(2)15-17-8-4-3-7-16(17)13-24-20(26)19-10-6-12-23-21(19)27-18-9-5-11-22-14-18/h3-12,14H,13,15H2,1-2H3,(H,24,26)
InChIKeyNBWVNGWGTQJBFE-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.26
Rot. Bonds7

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide (PubChem CID 51130329) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
PubChem CID51130329
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
SMILESCN(C)Cc1ccccc1CNC(=O)c1cccnc1Oc1cccnc1
InChIInChI=1S/C21H22N4O2/c1-25(2)15-17-8-4-3-7-16(17)13-24-20(26)19-10-6-12-23-21(19)27-18-9-5-11-22-14-18/h3-12,14H,13,15H2,1-2H3,(H,24,26)
InChIKeyNBWVNGWGTQJBFE-UHFFFAOYSA-N
XLogP3.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)propyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 95286023
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612326
N-[(5-methylfuran-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 22612035
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 71856738
2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 42521293
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
CID 166208718
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 18167775
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 41276041

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide (CID 51130329) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide is CN(C)Cc1ccccc1CNC(=O)c1cccnc1Oc1cccnc1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The InChIKey is NBWVNGWGTQJBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25(2)15-17-8-4-3-7-16(17)13-24-20(26)19-10-6-12-23-21(19)27-18-9-5-11-22-14-18/h3-12,14H,13,15H2,1-2H3,(H,24,26).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-3-yloxypyridine-3-carboxamide is sourced from PubChem (CID 51130329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).