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

C20H15N5O2S — CID 55975946

IUPACN-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1)c1cccnc1
InChIInChI=1S/C20H15N5O2S/c26-19(23-18-11-16(24-25-18)17-7-3-9-28-17)13-4-1-6-15(10-13)22-20(27)14-5-2-8-21-12-14/h1-12H,(H,22,27)(H2,23,24,25,26)
InChIKeyMYUFFRNSDWQMFM-UHFFFAOYSA-N
MW389.44 g/mol
LogP4.04
Rot. Bonds5

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

N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55975946) has the molecular formula C20H15N5O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55975946
Molecular FormulaC20H15N5O2S
Molecular Weight389.44 g/mol
Exact Mass389.09
IUPAC NameN-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1)c1cccnc1
InChIInChI=1S/C20H15N5O2S/c26-19(23-18-11-16(24-25-18)17-7-3-9-28-17)13-4-1-6-15(10-13)22-20(27)14-5-2-8-21-12-14/h1-12H,(H,22,27)(H2,23,24,25,26)
InChIKeyMYUFFRNSDWQMFM-UHFFFAOYSA-N
XLogP4.04
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-diacetamido-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 55977222
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 51102512
3-oxo-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-4H-1,4-benzothiazine-6-carboxamide
CID 60551671
N-pyridin-3-yl-2,3-dithiophen-2-ylquinoxaline-6-carboxamide
CID 2300708
4-(dimethylamino)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719488
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide
CID 47343912
3-(pyridine-3-carbonylamino)-1H-pyrazole-5-carboxylic acid
CID 64528251
N-[5-(hydroxymethyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 67819049
4-amino-3-nitro-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
CID 52719472
5-methyl-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)furan-2-carboxamide
CID 47343826
N-[3-(1H-indazol-7-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46411479
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 55975946) is N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(C(=O)Nc2cc(-c3cccs3)[nH]n2)c1)c1cccnc1.
What is the InChIKey of N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is MYUFFRNSDWQMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2S/c26-19(23-18-11-16(24-25-18)17-7-3-9-28-17)13-4-1-6-15(10-13)22-20(27)14-5-2-8-21-12-14/h1-12H,(H,22,27)(H2,23,24,25,26).
What are the key properties of N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 389.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-thiophen-2-yl-1H-pyrazol-3-yl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55975946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).