5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C21H24N10O2 — CID 58106168

IUPAC5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCNc1nc(N2CCCC2)c(C(N)=O)c(C)c1/N=N/c1c(C(N)=O)cnn1-c1ccccn1
InChIInChI=1S/C21H24N10O2/c1-12-15(18(23)33)21(30-9-5-6-10-30)27-19(24-2)16(12)28-29-20-13(17(22)32)11-26-31(20)14-7-3-4-8-25-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,22,32)(H2,23,33)(H,24,27)/b29-28+
InChIKeyCTHCDMHKXZQUFY-ZQHSETAFSA-N
MW448.49 g/mol
LogP2.23
Rot. Bonds7

About 5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide

5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 58106168) has the molecular formula C21H24N10O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID58106168
Molecular FormulaC21H24N10O2
Molecular Weight448.49 g/mol
Exact Mass448.21
IUPAC Name5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCNc1nc(N2CCCC2)c(C(N)=O)c(C)c1/N=N/c1c(C(N)=O)cnn1-c1ccccn1
InChIInChI=1S/C21H24N10O2/c1-12-15(18(23)33)21(30-9-5-6-10-30)27-19(24-2)16(12)28-29-20-13(17(22)32)11-26-31(20)14-7-3-4-8-25-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,22,32)(H2,23,33)(H,24,27)/b29-28+
InChIKeyCTHCDMHKXZQUFY-ZQHSETAFSA-N
XLogP2.23
TPSA169.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

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CID 58106178
5-[[4-[(2S)-aziridin-2-yl]-1-pyridin-2-ylpyrazol-5-yl]diazenyl]-4-methyl-2,6-bis(methylamino)pyridine-3-carbonitrile
CID 89010076
[5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carbonyl] 5-[(2,5-dimethyl-3H-pyrazolo[5,1-e]pyrazol-4-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
CID 58113687
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
ethyl 5-[(5-tert-butyl-2-hydroxyphenyl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
CID 135983869
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CID 55827653
ethyl 5-[(6-tert-butyl-3-heptan-3-yl-5H-pyrazolo[5,1-c][1,2,4]triazol-7-yl)diazenyl]-1-pyridin-2-ylpyrazole-4-carboxylate
CID 135983883
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
N-[1-ethyl-4-(methylcarbamoyl)pyrazol-5-yl]-1-pyridin-2-ylpiperidine-3-carboxamide
CID 155909318
2-methyl-5-[[(1R)-1-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)ethyl]amino]benzamide
CID 99776917
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598

Frequently Asked Questions

What is the IUPAC name of 5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of 5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 58106168) is 5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide is CNc1nc(N2CCCC2)c(C(N)=O)c(C)c1/N=N/c1c(C(N)=O)cnn1-c1ccccn1.
What is the InChIKey of 5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is CTHCDMHKXZQUFY-ZQHSETAFSA-N. The full InChI is InChI=1S/C21H24N10O2/c1-12-15(18(23)33)21(30-9-5-6-10-30)27-19(24-2)16(12)28-29-20-13(17(22)32)11-26-31(20)14-7-3-4-8-25-14/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,22,32)(H2,23,33)(H,24,27)/b29-28+.
What are the key properties of 5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 2.23, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-carbamoyl-1-pyridin-2-ylpyrazol-5-yl)diazenyl]-4-methyl-6-(methylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 58106168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).