N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide

C17H13N5O2 — CID 71934002

IUPACN-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccn2)n(-c2nc3ccccc3o2)n1
InChIInChI=1S/C17H13N5O2/c1-11-10-15(20-16(23)13-7-4-5-9-18-13)22(21-11)17-19-12-6-2-3-8-14(12)24-17/h2-10H,1H3,(H,20,23)
InChIKeyDZHDNUKEYQVHFJ-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.97
Rot. Bonds3

About N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide

N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide (PubChem CID 71934002) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide
PubChem CID71934002
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC NameN-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccccn2)n(-c2nc3ccccc3o2)n1
InChIInChI=1S/C17H13N5O2/c1-11-10-15(20-16(23)13-7-4-5-9-18-13)22(21-11)17-19-12-6-2-3-8-14(12)24-17/h2-10H,1H3,(H,20,23)
InChIKeyDZHDNUKEYQVHFJ-UHFFFAOYSA-N
XLogP2.97
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide (CID 71934002) is N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide is Cc1cc(NC(=O)c2ccccn2)n(-c2nc3ccccc3o2)n1.
What is the InChIKey of N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide?
The InChIKey is DZHDNUKEYQVHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-11-10-15(20-16(23)13-7-4-5-9-18-13)22(21-11)17-19-12-6-2-3-8-14(12)24-17/h2-10H,1H3,(H,20,23).
What are the key properties of N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide?
N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzoxazol-2-yl)-5-methylpyrazol-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 71934002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).