6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide

C24H23N5O — CID 112830892

IUPAC6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nccc2NC(=O)c2ccc(N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C24H23N5O/c1-18-7-6-8-19(15-18)17-29-23(13-14-26-29)27-24(30)20-11-12-22(25-16-20)28(2)21-9-4-3-5-10-21/h3-16H,17H2,1-2H3,(H,27,30)
InChIKeyCGBAMCVHRXZQIX-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.66
Rot. Bonds6

About 6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide

6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide (PubChem CID 112830892) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
PubChem CID112830892
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide
SMILESCc1cccc(Cn2nccc2NC(=O)c2ccc(N(C)c3ccccc3)nc2)c1
InChIInChI=1S/C24H23N5O/c1-18-7-6-8-19(15-18)17-29-23(13-14-26-29)27-24(30)20-11-12-22(25-16-20)28(2)21-9-4-3-5-10-21/h3-16H,17H2,1-2H3,(H,27,30)
InChIKeyCGBAMCVHRXZQIX-UHFFFAOYSA-N
XLogP4.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(N-methylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113016495
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
2-diethoxyphosphoryl-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 139016394
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-6-methylpyridine-3-carboxamide
CID 31124402
N-(2-ethoxy-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 112837289
3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
1-[2-[[2-[(3-methylphenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906680
N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2-methylpropylsulfanyl)acetamide
CID 55687689
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2,4-dimethylbenzamide
CID 86906690
N-(2-chloro-4-fluorophenyl)-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830348

Frequently Asked Questions

What is the IUPAC name of 6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide (CID 112830892) is 6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide is Cc1cccc(Cn2nccc2NC(=O)c2ccc(N(C)c3ccccc3)nc2)c1.
What is the InChIKey of 6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
The InChIKey is CGBAMCVHRXZQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-18-7-6-8-19(15-18)17-29-23(13-14-26-29)27-24(30)20-11-12-22(25-16-20)28(2)21-9-4-3-5-10-21/h3-16H,17H2,1-2H3,(H,27,30).
What are the key properties of 6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide?
6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(N-methylanilino)-N-[2-[(3-methylphenyl)methyl]pyrazol-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 112830892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).