6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide

C21H25N5O2 — CID 69028720

IUPAC6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(C)C)c2ccc(NC(=O)c3ccc(C)cc3)nc21
InChIInChI=1S/C21H25N5O2/c1-5-12-26-19-16(18(25-26)21(28)22-13(2)3)10-11-17(23-19)24-20(27)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3,(H,22,28)(H,23,24,27)
InChIKeyFMBSBBCYWXFQAY-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.54
Rot. Bonds6

About 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide

6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide (PubChem CID 69028720) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide
PubChem CID69028720
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(C)C)c2ccc(NC(=O)c3ccc(C)cc3)nc21
InChIInChI=1S/C21H25N5O2/c1-5-12-26-19-16(18(25-26)21(28)22-13(2)3)10-11-17(23-19)24-20(27)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3,(H,22,28)(H,23,24,27)
InChIKeyFMBSBBCYWXFQAY-UHFFFAOYSA-N
XLogP3.54
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N,N-dimethyl-6-[(4-methylbenzoyl)amino]pyrazolo[5,4-b]pyridine-3-carboxamide
CID 69029430
N-butan-2-yl-1-tert-butyl-6-[(4-methylbenzoyl)amino]pyrrolo[2,3-b]pyridine-3-carboxamide
CID 68805971
N-(7-methyl-1-propylpyrazolo[5,4-b]quinolin-3-yl)benzamide
CID 946372
N-[(2R)-butan-2-yl]-2-[(4-methylbenzoyl)amino]benzamide
CID 893770
N-butan-2-yl-2-[(4-methylbenzoyl)amino]benzamide
CID 2942993
4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
N-[1-tert-butyl-3-(pyrrolidine-1-carbonyl)pyrrolo[2,3-b]pyridin-6-yl]-4-methylbenzamide
CID 69028594
1-tert-butyl-6-[(4-methylbenzoyl)amino]-N-(1-pyridin-3-ylethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 69026441
N-(2-chloropyrimidin-4-yl)-4-methylbenzamide
CID 116798530
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
4-formyl-N-propan-2-ylbenzamide;1-methyl-4-propylsulfanylbenzene
CID 153370018
2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]pentanoic acid
CID 120534623

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide?
The IUPAC name of 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide (CID 69028720) is 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide?
The canonical SMILES for 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide is CCCn1nc(C(=O)NC(C)C)c2ccc(NC(=O)c3ccc(C)cc3)nc21.
What is the InChIKey of 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide?
The InChIKey is FMBSBBCYWXFQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-5-12-26-19-16(18(25-26)21(28)22-13(2)3)10-11-17(23-19)24-20(27)15-8-6-14(4)7-9-15/h6-11,13H,5,12H2,1-4H3,(H,22,28)(H,23,24,27).
What are the key properties of 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide?
6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylbenzoyl)amino]-N-propan-2-yl-1-propylpyrazolo[5,4-b]pyridine-3-carboxamide is sourced from PubChem (CID 69028720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).