N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

C21H21N5O2 — CID 171144581

IUPACN-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2Cc3c(C(=O)NCc4ccccc4)cnn3C2)ccn1
InChIInChI=1S/C21H21N5O2/c1-14-9-16(7-8-22-14)20(27)25-17-10-19-18(12-24-26(19)13-17)21(28)23-11-15-5-3-2-4-6-15/h2-9,12,17H,10-11,13H2,1H3,(H,23,28)(H,25,27)
InChIKeyOQHYJAJPNZIXEI-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.87
Rot. Bonds5

About N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide

N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (PubChem CID 171144581) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
PubChem CID171144581
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2Cc3c(C(=O)NCc4ccccc4)cnn3C2)ccn1
InChIInChI=1S/C21H21N5O2/c1-14-9-16(7-8-22-14)20(27)25-17-10-19-18(12-24-26(19)13-17)21(28)23-11-15-5-3-2-4-6-15/h2-9,12,17H,10-11,13H2,1H3,(H,23,28)(H,25,27)
InChIKeyOQHYJAJPNZIXEI-UHFFFAOYSA-N
XLogP1.87
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-[(2-methylpyridine-3-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144573
N-benzyl-5-[(1-ethylpyrazole-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144600
N-benzyl-5-[(2-pyridin-3-ylacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171144578
N-benzyl-5-[(2-phenoxyacetyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide
CID 171141571
2-methyl-N-(oxetan-3-yl)pyridine-4-carboxamide
CID 106753340
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
N-(1-benzyl-5-oxopyrrolidin-3-yl)-6-methylpyridine-3-carboxamide
CID 56826631
N-benzyl-2,3-dimethylpyridine-4-carboxamide
CID 110850641
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
2-N-benzyl-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085391
3-[[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]methyl]benzoic acid
CID 108745436
2-methyl-N-(oxolan-3-yl)pyridine-4-carboxamide
CID 139360784

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide (CID 171144581) is N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is Cc1cc(C(=O)NC2Cc3c(C(=O)NCc4ccccc4)cnn3C2)ccn1.
What is the InChIKey of N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
The InChIKey is OQHYJAJPNZIXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-9-16(7-8-22-14)20(27)25-17-10-19-18(12-24-26(19)13-17)21(28)23-11-15-5-3-2-4-6-15/h2-9,12,17H,10-11,13H2,1H3,(H,23,28)(H,25,27).
What are the key properties of N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide?
N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-[(2-methylpyridine-4-carbonyl)amino]-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole-3-carboxamide is sourced from PubChem (CID 171144581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).