2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid

C17H17N7O3 — CID 155230978

IUPAC2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C17H17N7O3/c1-10(2)24-9-19-23-15(24)12-4-3-5-13(20-12)21-17(27)22-14-8-11(16(25)26)6-7-18-14/h3-10H,1-2H3,(H,25,26)(H2,18,20,21,22,27)
InChIKeyHVKMXHJZIAOHKA-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.66
Rot. Bonds5

About 2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid

2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid (PubChem CID 155230978) has the molecular formula C17H17N7O3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid
PubChem CID155230978
Molecular FormulaC17H17N7O3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc(C(=O)O)ccn2)n1
InChIInChI=1S/C17H17N7O3/c1-10(2)24-9-19-23-15(24)12-4-3-5-13(20-12)21-17(27)22-14-8-11(16(25)26)6-7-18-14/h3-10H,1-2H3,(H,25,26)(H2,18,20,21,22,27)
InChIKeyHVKMXHJZIAOHKA-UHFFFAOYSA-N
XLogP2.66
TPSA134.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-N-pyridazin-3-ylbenzene-1,3-dicarboxamide
CID 153449802
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]isoquinoline-1-carboxamide
CID 169227716
N-(4-bromo-2-pyridinyl)-6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CID 142350876
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(pyrimidin-4-ylamino)benzamide
CID 135348307
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylsulfonylbenzamide
CID 135347782
ethane;molecular hydrogen;N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]naphthalene-2-carboxamide
CID 142483445
1-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)urea
CID 175003165
1-(6-fluoro-1,3-benzothiazol-2-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]urea
CID 171484355
5-amino-3-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]pyrazole-1-carboxamide
CID 151285009
4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyrimidin-4-yloxybenzamide
CID 135348383
N-[4-fluoro-3-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoyl]phenyl]pyridine-4-carboxamide
CID 135348160
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 155521986

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid (CID 155230978) is 2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid is CC(C)n1cnnc1-c1cccc(NC(=O)Nc2cc(C(=O)O)ccn2)n1.
What is the InChIKey of 2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid?
The InChIKey is HVKMXHJZIAOHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O3/c1-10(2)24-9-19-23-15(24)12-4-3-5-13(20-12)21-17(27)22-14-8-11(16(25)26)6-7-18-14/h3-10H,1-2H3,(H,25,26)(H2,18,20,21,22,27).
What are the key properties of 2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid?
2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid has a molecular weight of 367.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]carbamoylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 155230978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).