2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide

C21H22N4O3 — CID 55965315

IUPAC2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)c2cccnc2N(C)C)cn1
InChIInChI=1S/C21H22N4O3/c1-14-7-9-17(18(12-14)27-4)28-19-10-8-15(13-23-19)24-21(26)16-6-5-11-22-20(16)25(2)3/h5-13H,1-4H3,(H,24,26)
InChIKeyFHOVZTDQDSJBJQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.90
Rot. Bonds6

About 2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide

2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 55965315) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID55965315
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1cc(C)ccc1Oc1ccc(NC(=O)c2cccnc2N(C)C)cn1
InChIInChI=1S/C21H22N4O3/c1-14-7-9-17(18(12-14)27-4)28-19-10-8-15(13-23-19)24-21(26)16-6-5-11-22-20(16)25(2)3/h5-13H,1-4H3,(H,24,26)
InChIKeyFHOVZTDQDSJBJQ-UHFFFAOYSA-N
XLogP3.90
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38898343
2-methoxy-N-[6-(3-methylphenoxy)-3-pyridinyl]benzamide
CID 42878441
5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
2-(dimethylamino)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 38886044
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]urea
CID 55743312
ethyl 6-[[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
CID 55677621
N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 167970581
N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-2-methoxybenzamide
CID 42878469
1-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3-pentylurea
CID 52627553
2-(dimethylamino)-N-phenylpyridine-3-carboxamide
CID 38885522
2-[(3,4-dimethylphenyl)sulfonyl-methylamino]-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]acetamide
CID 55675008
N-[6-(2,5-dimethylphenoxy)-3-pyridinyl]-4-methoxybenzamide
CID 42691206

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide (CID 55965315) is 2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide is COc1cc(C)ccc1Oc1ccc(NC(=O)c2cccnc2N(C)C)cn1.
What is the InChIKey of 2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is FHOVZTDQDSJBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-7-9-17(18(12-14)27-4)28-19-10-8-15(13-23-19)24-21(26)16-6-5-11-22-20(16)25(2)3/h5-13H,1-4H3,(H,24,26).
What are the key properties of 2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide?
2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 55965315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).