N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

C20H22N4O3 — CID 71896744

IUPACN-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-n3nc(C)cc3C)nc2)c(OC)c1
InChIInChI=1S/C20H22N4O3/c1-13-9-14(2)24(23-13)19-8-6-16(12-21-19)20(25)22-11-15-5-7-17(26-3)10-18(15)27-4/h5-10,12H,11H2,1-4H3,(H,22,25)
InChIKeyXQVWCDFPAYGXFV-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.83
Rot. Bonds6

About N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide

N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (PubChem CID 71896744) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
PubChem CID71896744
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(-n3nc(C)cc3C)nc2)c(OC)c1
InChIInChI=1S/C20H22N4O3/c1-13-9-14(2)24(23-13)19-8-6-16(12-21-19)20(25)22-11-15-5-7-17(26-3)10-18(15)27-4/h5-10,12H,11H2,1-4H3,(H,22,25)
InChIKeyXQVWCDFPAYGXFV-UHFFFAOYSA-N
XLogP2.83
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-3-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111878826
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
6-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 38024335
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 86980602
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120827441
N,1-bis[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55632444
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-methoxypyridine-4-carboxamide
CID 99810655
(6-methoxynaphthalen-2-yl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55670712
N-[(2,4-dimethoxyphenyl)methyl]-6-[3-[(3-methoxy-2-methylbenzoyl)amino]-8-azabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxamide
CID 25269881
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 55858015
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119498289

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide (CID 71896744) is N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(-n3nc(C)cc3C)nc2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
The InChIKey is XQVWCDFPAYGXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13-9-14(2)24(23-13)19-8-6-16(12-21-19)20(25)22-11-15-5-7-17(26-3)10-18(15)27-4/h5-10,12H,11H2,1-4H3,(H,22,25).
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide?
N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 71896744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).