2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide

C16H16N7O2+ — CID 123201906

IUPAC2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
SMILESC[N+]1(C(N)=O)C=C(c2cnc(N)c(C(=O)Nc3ccncc3)c2)C=N1
InChIInChI=1S/C16H15N7O2/c1-23(16(18)25)9-11(8-21-23)10-6-13(14(17)20-7-10)15(24)22-12-2-4-19-5-3-12/h2-9H,1H3,(H4-,17,18,19,20,22,24,25)/p+1
InChIKeyOZAABOCYTTZAPC-UHFFFAOYSA-O
MW338.35 g/mol
LogP1.18
Rot. Bonds3

About 2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide

2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 123201906) has the molecular formula C16H16N7O2+ and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
PubChem CID123201906
Molecular FormulaC16H16N7O2+
Molecular Weight338.35 g/mol
Exact Mass338.14
IUPAC Name2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide
SMILESC[N+]1(C(N)=O)C=C(c2cnc(N)c(C(=O)Nc3ccncc3)c2)C=N1
InChIInChI=1S/C16H15N7O2/c1-23(16(18)25)9-11(8-21-23)10-6-13(14(17)20-7-10)15(24)22-12-2-4-19-5-3-12/h2-9H,1H3,(H4-,17,18,19,20,22,24,25)/p+1
InChIKeyOZAABOCYTTZAPC-UHFFFAOYSA-O
XLogP1.18
TPSA136.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-pyridin-4-yl-5-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 71080374
ethyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]benzoate
CID 71061208
[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl] formate
CID 174791748
methyl 4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]-2-fluorobenzoate
CID 71060843
2-amino-5-[4-[bis(2-hydroxyethyl)carbamoyl]phenyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061213
N-(4-acetamidophenyl)-5-(4-acetylphenyl)-2-aminopyridine-3-carboxamide
CID 164524580
2-amino-5-[3-(4-hydroxypiperidin-1-yl)sulfonylphenyl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061133
tert-butyl N-[4-[4-[6-amino-5-(pyridin-4-ylcarbamoyl)-3-pyridinyl]phenyl]-4-oxobutyl]carbamate
CID 159902780
2-amino-5-[5-(morpholin-4-ylmethyl)thiophen-3-yl]-N-pyridin-4-ylpyridine-3-carboxamide
CID 71061217
2-amino-5-(1,5-dihydroimidazo[1,2-a]pyridin-2-yl)-N-pyridin-4-ylpyridine-3-carboxamide
CID 71062414
2-amino-N-methyl-5-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 144889183
2-amino-5-(1-benzylpyrazol-4-yl)-N-(2-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 71061140

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide (CID 123201906) is 2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide is C[N+]1(C(N)=O)C=C(c2cnc(N)c(C(=O)Nc3ccncc3)c2)C=N1.
What is the InChIKey of 2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is OZAABOCYTTZAPC-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15N7O2/c1-23(16(18)25)9-11(8-21-23)10-6-13(14(17)20-7-10)15(24)22-12-2-4-19-5-3-12/h2-9H,1H3,(H4-,17,18,19,20,22,24,25)/p+1.
What are the key properties of 2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide?
2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 338.35 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(1-carbamoyl-1-methylpyrazol-1-ium-4-yl)-N-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 123201906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).