N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide

C20H22N6O3 — CID 154654067

IUPACN-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C20H22N6O3/c1-26(2)12-13-4-6-15(7-5-13)23-20(28)18-17(11-22-25-18)24-19(27)14-8-16(29-3)10-21-9-14/h4-11H,12H2,1-3H3,(H,22,25)(H,23,28)(H,24,27)
InChIKeyIUBMYOISONSWIP-UHFFFAOYSA-N
MW394.44 g/mol
LogP2.38
Rot. Bonds7

About N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide

N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide (PubChem CID 154654067) has the molecular formula C20H22N6O3 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
PubChem CID154654067
Molecular FormulaC20H22N6O3
Molecular Weight394.44 g/mol
Exact Mass394.18
IUPAC NameN-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
SMILESCOc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(CN(C)C)cc2)c1
InChIInChI=1S/C20H22N6O3/c1-26(2)12-13-4-6-15(7-5-13)23-20(28)18-17(11-22-25-18)24-19(27)14-8-16(29-3)10-21-9-14/h4-11H,12H2,1-3H3,(H,22,25)(H,23,28)(H,24,27)
InChIKeyIUBMYOISONSWIP-UHFFFAOYSA-N
XLogP2.38
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

1-methyl-4-(pyridin-4-ylmethylamino)-N-(4-(trifluoromethoxy)phenyl)-1H-pyrazole-5-carboxamide
CID 44439466
5-[[3-[(4-Pyrazol-1-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124162056
US11180484, Example 11
CID 139301865
US11180484, Example 22
CID 139301877
4-[2-(5-piperidin-4-yloxy-3-pyridinyl)ethynyl]-N-pyridin-3-yl-1H-pyrazole-5-carboxamide
CID 154654392
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 24981609
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)H-pyrazolo[1,5-a]pyridine-4-carboxamide
CID 44360984
N-ethyl-N-(6-methoxy-3-pyridinyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46883829
N-(2-methoxyethyl)-N-(6-methoxy-3-pyridinyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 46883831
2-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]oxy-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136053675
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methoxypyridine-3-carboxamide
CID 155524757
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]pyridazine-3-carboxamide
CID 124156885

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
The IUPAC name of N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide (CID 154654067) is N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide is COc1cncc(C(=O)Nc2cn[nH]c2C(=O)Nc2ccc(CN(C)C)cc2)c1.
What is the InChIKey of N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
The InChIKey is IUBMYOISONSWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3/c1-26(2)12-13-4-6-15(7-5-13)23-20(28)18-17(11-22-25-18)24-19(27)14-8-16(29-3)10-21-9-14/h4-11H,12H2,1-3H3,(H,22,25)(H,23,28)(H,24,27).
What are the key properties of N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide?
N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(dimethylamino)methyl]phenyl]carbamoyl]-1H-pyrazol-4-yl]-5-methoxypyridine-3-carboxamide is sourced from PubChem (CID 154654067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).