2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide

C19H26N4O4S2 — CID 11476149

IUPAC2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
SMILESCN(c1cc(C(=O)N[C@H](CO)Cc2ccsc2)cc(NCC2CC2)n1)S(C)(=O)=O
InChIInChI=1S/C19H26N4O4S2/c1-23(29(2,26)27)18-9-15(8-17(22-18)20-10-13-3-4-13)19(25)21-16(11-24)7-14-5-6-28-12-14/h5-6,8-9,12-13,16,24H,3-4,7,10-11H2,1-2H3,(H,20,22)(H,21,25)/t16-/m0/s1
InChIKeyUGOYAQDKEXBYOL-INIZCTEOSA-N
MW438.58 g/mol
LogP1.69
Rot. Bonds10

About 2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide

2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide (PubChem CID 11476149) has the molecular formula C19H26N4O4S2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
PubChem CID11476149
Molecular FormulaC19H26N4O4S2
Molecular Weight438.58 g/mol
Exact Mass438.14
IUPAC Name2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
SMILESCN(c1cc(C(=O)N[C@H](CO)Cc2ccsc2)cc(NCC2CC2)n1)S(C)(=O)=O
InChIInChI=1S/C19H26N4O4S2/c1-23(29(2,26)27)18-9-15(8-17(22-18)20-10-13-3-4-13)19(25)21-16(11-24)7-14-5-6-28-12-14/h5-6,8-9,12-13,16,24H,3-4,7,10-11H2,1-2H3,(H,20,22)(H,21,25)/t16-/m0/s1
InChIKeyUGOYAQDKEXBYOL-INIZCTEOSA-N
XLogP1.69
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-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

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[methyl(methylsulfonyl)amino]-6-(3-phenylpyrrolidin-1-yl)pyridine-4-carboxamide
CID 11306761
2-[(2-methylcyclopropyl)methylamino]-6-[methyl(propan-2-ylsulfonyl)amino]-N-[1-phenyl-4-(prop-2-ynylamino)butan-2-yl]pyridine-4-carboxamide
CID 91102690
N-[3-(2-cyclopropylethenyl)-5-[(3R)-3-(hydroxymethyl)-4-thiophen-3-ylbutanoyl]phenyl]-N-methylmethanesulfonamide
CID 91520324
1-N-benzyl-3-N-[(2S)-1-[[(2S)-1-(3-chloroanilino)-1-oxopropan-2-yl]amino]-3-thiophen-3-ylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
CID 143406009
2-methylpropyl N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]carbamate
CID 68854928
(2S)-N-(cyclopropylmethyl)-2-methylbutanamide;3-[dimethylsulfamoyl(methyl)amino]-5-formyl-N-[(2R)-1-thiophen-3-ylhexan-2-yl]benzamide;(1R)-N-methyl-1-(3-methylphenyl)ethanamine
CID 143406017
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
1-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(ethylamino)-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-thiophen-3-ylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
CID 59297680
N-[(2S,3S)-3-amino-1-phenylbutan-2-yl]-2-[(2-methylcyclopropyl)methylamino]-6-[methylsulfonyl(propyl)amino]pyridine-4-carboxamide
CID 11397650
2-(butan-2-ylamino)-N-[(1S,2S)-1-[(3S)-3-fluoropyrrolidin-2-yl]-1-hydroxy-3-phenylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide
CID 68817448
N-[(2S)-4-[(3-tert-butylphenyl)methyl-methylamino]butan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methylamino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
CID 143972887
1-N-[(1R)-1-(3-chlorophenyl)ethyl]-3-N-[(2R)-1-[[(2S)-1-(cyclopropylmethylamino)-1-oxobutan-2-yl]amino]-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 169427359

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide (CID 11476149) is 2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide is CN(c1cc(C(=O)N[C@H](CO)Cc2ccsc2)cc(NCC2CC2)n1)S(C)(=O)=O.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide?
The InChIKey is UGOYAQDKEXBYOL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O4S2/c1-23(29(2,26)27)18-9-15(8-17(22-18)20-10-13-3-4-13)19(25)21-16(11-24)7-14-5-6-28-12-14/h5-6,8-9,12-13,16,24H,3-4,7,10-11H2,1-2H3,(H,20,22)(H,21,25)/t16-/m0/s1.
What are the key properties of 2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide?
2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide has a molecular weight of 438.58 g/mol, XLogP of 1.69, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[(2S)-1-hydroxy-3-thiophen-3-ylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 11476149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).