5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide

C25H30ClN5O2S — CID 177043325

IUPAC5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide
SMILESCc1ncc(Cl)cc1NCc1ccc(C(=O)NC(CC(C)(C)C)C(=O)NCc2cccnc2)s1
InChIInChI=1S/C25H30ClN5O2S/c1-16-20(10-18(26)14-28-16)29-15-19-7-8-22(34-19)24(33)31-21(11-25(2,3)4)23(32)30-13-17-6-5-9-27-12-17/h5-10,12,14,21,29H,11,13,15H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyMHTRZOICPBNWMP-UHFFFAOYSA-N
MW500.07 g/mol
LogP4.96
Rot. Bonds9

About 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide

5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide (PubChem CID 177043325) has the molecular formula C25H30ClN5O2S and a molecular weight of 500.07 g/mol. Its IUPAC name is 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide
PubChem CID177043325
Molecular FormulaC25H30ClN5O2S
Molecular Weight500.07 g/mol
Exact Mass499.18
IUPAC Name5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide
SMILESCc1ncc(Cl)cc1NCc1ccc(C(=O)NC(CC(C)(C)C)C(=O)NCc2cccnc2)s1
InChIInChI=1S/C25H30ClN5O2S/c1-16-20(10-18(26)14-28-16)29-15-19-7-8-22(34-19)24(33)31-21(11-25(2,3)4)23(32)30-13-17-6-5-9-27-12-17/h5-10,12,14,21,29H,11,13,15H2,1-4H3,(H,30,32)(H,31,33)
InChIKeyMHTRZOICPBNWMP-UHFFFAOYSA-N
XLogP4.96
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.07
LogP ≤ 54.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide 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

5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[1-(cyclopropylamino)-3-(3,3-difluorocyclobutyl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 177043276
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
(2S)-2-(2,2-dimethylpropanoylamino)-4-methyl-N-(pyridin-3-ylmethyl)pentanamide
CID 110351478
2-amino-N-(pyridin-3-ylmethyl)butanamide
CID 43649510
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]benzamide
CID 2972339
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]pyridine-3-carboxamide
CID 45371355
(2S)-2-(4-chlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 800409
5-(azidomethyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 134162978
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
2-methyl-N-(pyridin-3-ylmethyl)-3-sulfanylpropanamide
CID 88670625
(2S)-2-amino-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 18655127
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide (CID 177043325) is 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide is Cc1ncc(Cl)cc1NCc1ccc(C(=O)NC(CC(C)(C)C)C(=O)NCc2cccnc2)s1.
What is the InChIKey of 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide?
The InChIKey is MHTRZOICPBNWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2S/c1-16-20(10-18(26)14-28-16)29-15-19-7-8-22(34-19)24(33)31-21(11-25(2,3)4)23(32)30-13-17-6-5-9-27-12-17/h5-10,12,14,21,29H,11,13,15H2,1-4H3,(H,30,32)(H,31,33).
What are the key properties of 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide?
5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide has a molecular weight of 500.07 g/mol, XLogP of 4.96, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chloro-2-methyl-3-pyridinyl)amino]methyl]-N-[4,4-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 177043325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).