3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide

C18H19N5O2S — CID 166212586

IUPAC3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide
SMILESCc1ccc(CCC(=O)Nc2cnn(CC(=O)Nc3cccnc3)c2)s1
InChIInChI=1S/C18H19N5O2S/c1-13-4-5-16(26-13)6-7-17(24)22-15-10-20-23(11-15)12-18(25)21-14-3-2-8-19-9-14/h2-5,8-11H,6-7,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyLXDNIAAEBXQFMQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.86
Rot. Bonds7

About 3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide

3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide (PubChem CID 166212586) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide
PubChem CID166212586
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide
SMILESCc1ccc(CCC(=O)Nc2cnn(CC(=O)Nc3cccnc3)c2)s1
InChIInChI=1S/C18H19N5O2S/c1-13-4-5-16(26-13)6-7-17(24)22-15-10-20-23(11-15)12-18(25)21-14-3-2-8-19-9-14/h2-5,8-11H,6-7,12H2,1H3,(H,21,25)(H,22,24)
InChIKeyLXDNIAAEBXQFMQ-UHFFFAOYSA-N
XLogP2.86
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,3S)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 97216672
cis-(1S,3R)-3-methyl-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 97216669
4-(4-iodopyrazol-1-yl)-N-pyridin-3-ylbutanamide
CID 126421662
N-(1-methylpyrazol-4-yl)-3-pyridin-3-ylpropanamide
CID 32605738
2-(4-acetamidotriazol-1-yl)-N-pyridin-3-ylacetamide
CID 112524098
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155
4-(1-methyltetrazol-5-yl)sulfanyl-N-pyridin-3-ylbutanamide
CID 13203384
2-morpholin-4-yl-N-pyridin-3-ylacetamide
CID 124786353
3-phenyl-N-[1-(2-phenylethyl)pyrazol-4-yl]propanamide
CID 95744744
2-[4-[3-(2-hydroxyphenyl)propanoylamino]pyrazol-1-yl]acetic acid
CID 61017720
2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609283

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide?
The IUPAC name of 3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide (CID 166212586) is 3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide.
What is the SMILES notation for 3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide?
The canonical SMILES for 3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide is Cc1ccc(CCC(=O)Nc2cnn(CC(=O)Nc3cccnc3)c2)s1.
What is the InChIKey of 3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide?
The InChIKey is LXDNIAAEBXQFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-13-4-5-16(26-13)6-7-17(24)22-15-10-20-23(11-15)12-18(25)21-14-3-2-8-19-9-14/h2-5,8-11H,6-7,12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide?
3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide has a molecular weight of 369.45 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylthiophen-2-yl)-N-[1-[2-oxo-2-(pyridin-3-ylamino)ethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 166212586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).