N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide

C17H12N8O3 — CID 89005053

IUPACN-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2n[nH]c(-c3cc(NC(N)=O)ccn3)c2C=O)ccn1
InChIInChI=1S/C17H12N8O3/c18-7-11-5-9(1-3-20-11)16(27)23-15-12(8-26)14(24-25-15)13-6-10(2-4-21-13)22-17(19)28/h1-6,8H,(H3,19,21,22,28)(H2,23,24,25,27)
InChIKeyWJZSKOZEWJPJOF-UHFFFAOYSA-N
MW376.34 g/mol
LogP1.29
Rot. Bonds5

About N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide

N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide (PubChem CID 89005053) has the molecular formula C17H12N8O3 and a molecular weight of 376.34 g/mol. Its IUPAC name is N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide
PubChem CID89005053
Molecular FormulaC17H12N8O3
Molecular Weight376.34 g/mol
Exact Mass376.10
IUPAC NameN-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide
SMILESN#Cc1cc(C(=O)Nc2n[nH]c(-c3cc(NC(N)=O)ccn3)c2C=O)ccn1
InChIInChI=1S/C17H12N8O3/c18-7-11-5-9(1-3-20-11)16(27)23-15-12(8-26)14(24-25-15)13-6-10(2-4-21-13)22-17(19)28/h1-6,8H,(H3,19,21,22,28)(H2,23,24,25,27)
InChIKeyWJZSKOZEWJPJOF-UHFFFAOYSA-N
XLogP1.29
TPSA179.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 51.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide?
The IUPAC name of N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide (CID 89005053) is N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide.
What is the SMILES notation for N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide?
The canonical SMILES for N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide is N#Cc1cc(C(=O)Nc2n[nH]c(-c3cc(NC(N)=O)ccn3)c2C=O)ccn1.
What is the InChIKey of N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide?
The InChIKey is WJZSKOZEWJPJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8O3/c18-7-11-5-9(1-3-20-11)16(27)23-15-12(8-26)14(24-25-15)13-6-10(2-4-21-13)22-17(19)28/h1-6,8H,(H3,19,21,22,28)(H2,23,24,25,27).
What are the key properties of N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide?
N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 1.29, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(carbamoylamino)-2-pyridinyl]-4-formyl-1H-pyrazol-3-yl]-2-cyanopyridine-4-carboxamide is sourced from PubChem (CID 89005053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).