N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide

C14H12N4OS — CID 53163538

IUPACN-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C14H12N4OS/c1-9-12(8-13(20-9)11-4-7-16-18-11)17-14(19)10-2-5-15-6-3-10/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyNNZGCKWRNAOMPE-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.09
Rot. Bonds3

About N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide

N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide (PubChem CID 53163538) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide
PubChem CID53163538
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC NameN-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide
SMILESCc1sc(-c2ccn[nH]2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C14H12N4OS/c1-9-12(8-13(20-9)11-4-7-16-18-11)17-14(19)10-2-5-15-6-3-10/h2-8H,1H3,(H,16,18)(H,17,19)
InChIKeyNNZGCKWRNAOMPE-UHFFFAOYSA-N
XLogP3.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide (CID 53163538) is N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide is Cc1sc(-c2ccn[nH]2)cc1NC(=O)c1ccncc1.
What is the InChIKey of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide?
The InChIKey is NNZGCKWRNAOMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-9-12(8-13(20-9)11-4-7-16-18-11)17-14(19)10-2-5-15-6-3-10/h2-8H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide?
N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide has a molecular weight of 284.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(1H-pyrazol-5-yl)thiophen-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 53163538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).