6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide

C17H17N7O2 — CID 138454245

IUPAC6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-n2cccn2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C17H17N7O2/c1-2-19-17(26)23-15-9-14(24-8-4-7-21-24)13(11-20-15)16(25)22-12-5-3-6-18-10-12/h3-11H,2H2,1H3,(H,22,25)(H2,19,20,23,26)
InChIKeyJCTRAYIUGCXVJI-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.06
Rot. Bonds5

About 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide

6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide (PubChem CID 138454245) has the molecular formula C17H17N7O2 and a molecular weight of 351.37 g/mol. Its IUPAC name is 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide
PubChem CID138454245
Molecular FormulaC17H17N7O2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide
SMILESCCNC(=O)Nc1cc(-n2cccn2)c(C(=O)Nc2cccnc2)cn1
InChIInChI=1S/C17H17N7O2/c1-2-19-17(26)23-15-9-14(24-8-4-7-21-24)13(11-20-15)16(25)22-12-5-3-6-18-10-12/h3-11H,2H2,1H3,(H,22,25)(H2,19,20,23,26)
InChIKeyJCTRAYIUGCXVJI-UHFFFAOYSA-N
XLogP2.06
TPSA113.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide?
The IUPAC name of 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide (CID 138454245) is 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide is CCNC(=O)Nc1cc(-n2cccn2)c(C(=O)Nc2cccnc2)cn1.
What is the InChIKey of 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide?
The InChIKey is JCTRAYIUGCXVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O2/c1-2-19-17(26)23-15-9-14(24-8-4-7-21-24)13(11-20-15)16(25)22-12-5-3-6-18-10-12/h3-11H,2H2,1H3,(H,22,25)(H2,19,20,23,26).
What are the key properties of 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide?
6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylcarbamoylamino)-4-pyrazol-1-yl-N-pyridin-3-ylpyridine-3-carboxamide is sourced from PubChem (CID 138454245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).