2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide

C20H21N5O — CID 154843850

IUPAC2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(NC(=O)c2ccnc(NC3CCC3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O/c1-25-13-17(19(24-25)14-6-3-2-4-7-14)23-20(26)15-10-11-21-18(12-15)22-16-8-5-9-16/h2-4,6-7,10-13,16H,5,8-9H2,1H3,(H,21,22)(H,23,26)
InChIKeyYGJDYSPHVAGLFX-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.70
Rot. Bonds5

About 2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide

2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 154843850) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide
PubChem CID154843850
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(NC(=O)c2ccnc(NC3CCC3)c2)c(-c2ccccc2)n1
InChIInChI=1S/C20H21N5O/c1-25-13-17(19(24-25)14-6-3-2-4-7-14)23-20(26)15-10-11-21-18(12-15)22-16-8-5-9-16/h2-4,6-7,10-13,16H,5,8-9H2,1H3,(H,21,22)(H,23,26)
InChIKeyYGJDYSPHVAGLFX-UHFFFAOYSA-N
XLogP3.70
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclohexylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 109166365
ethyl 2-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175109
2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257
N-(2-bromo-4-methylphenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166381
2,4-dichloro-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 138998439
2-(cycloheptylamino)-N-(2,5-dimethoxyphenyl)pyridine-4-carboxamide
CID 109175088
2-(cyclobutylamino)-N-(1,2-thiazol-4-yl)pyridine-4-carboxamide
CID 166254965
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(1-methyl-3-phenylpyrazol-4-yl)urea
CID 110017230
N-(4-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166358
N-(3-bromophenyl)-2-(cyclohexylamino)pyridine-4-carboxamide
CID 109166380
4-(2-ethoxyphenoxy)-N-(1-methyl-3-phenylpyrazol-4-yl)benzamide
CID 166383278
[2-(cyclopentylamino)-4-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109166097

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide (CID 154843850) is 2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide is Cn1cc(NC(=O)c2ccnc(NC3CCC3)c2)c(-c2ccccc2)n1.
What is the InChIKey of 2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is YGJDYSPHVAGLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-25-13-17(19(24-25)14-6-3-2-4-7-14)23-20(26)15-10-11-21-18(12-15)22-16-8-5-9-16/h2-4,6-7,10-13,16H,5,8-9H2,1H3,(H,21,22)(H,23,26).
What are the key properties of 2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide?
2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-N-(1-methyl-3-phenylpyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 154843850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).