3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide

C19H22N6O — CID 91767625

IUPAC3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NCCCNC(=O)c2[nH]nc(N)c2-c2ccccc2)nc1
InChIInChI=1S/C19H22N6O/c1-13-8-9-15(23-12-13)21-10-5-11-22-19(26)17-16(18(20)25-24-17)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,23)(H,22,26)(H3,20,24,25)
InChIKeyJXFJJRLLNAXJBF-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.59
Rot. Bonds7

About 3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide

3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 91767625) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide
PubChem CID91767625
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide
SMILESCc1ccc(NCCCNC(=O)c2[nH]nc(N)c2-c2ccccc2)nc1
InChIInChI=1S/C19H22N6O/c1-13-8-9-15(23-12-13)21-10-5-11-22-19(26)17-16(18(20)25-24-17)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,23)(H,22,26)(H3,20,24,25)
InChIKeyJXFJJRLLNAXJBF-UHFFFAOYSA-N
XLogP2.59
TPSA108.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide
CID 119888012
2-(aminomethyl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119888059
(2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide
CID 97071138
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99928932
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-morpholin-4-ylbenzamide
CID 91791359
4-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]ethyl]benzamide
CID 60965045
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 120565647
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119888082
4-chloro-1-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrazole-3-carboxamide
CID 131899881
5-methyl-N-(3-phenylpropyl)pyridin-2-amine
CID 54931107
2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 119888065

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide (CID 91767625) is 3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide is Cc1ccc(NCCCNC(=O)c2[nH]nc(N)c2-c2ccccc2)nc1.
What is the InChIKey of 3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is JXFJJRLLNAXJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-8-9-15(23-12-13)21-10-5-11-22-19(26)17-16(18(20)25-24-17)14-6-3-2-4-7-14/h2-4,6-9,12H,5,10-11H2,1H3,(H,21,23)(H,22,26)(H3,20,24,25).
What are the key properties of 3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide?
3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 350.43 g/mol, XLogP of 2.59, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-4-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 91767625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).