N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide

C23H37N5O4S — CID 91289636

IUPACN-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)NCC(O)CNCC#CC2CC2)cc(N(C)S(=O)(=O)C(C)C)n1
InChIInChI=1S/C23H37N5O4S/c1-16(2)13-25-21-11-19(12-22(27-21)28(5)33(31,32)17(3)4)23(30)26-15-20(29)14-24-10-6-7-18-8-9-18/h11-12,16-18,20,24,29H,8-10,13-15H2,1-5H3,(H,25,27)(H,26,30)
InChIKeyLRTWPGXAUAHOIB-UHFFFAOYSA-N
MW479.65 g/mol
LogP1.42
Rot. Bonds12

About N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide

N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide (PubChem CID 91289636) has the molecular formula C23H37N5O4S and a molecular weight of 479.65 g/mol. Its IUPAC name is N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide
PubChem CID91289636
Molecular FormulaC23H37N5O4S
Molecular Weight479.65 g/mol
Exact Mass479.26
IUPAC NameN-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide
SMILESCC(C)CNc1cc(C(=O)NCC(O)CNCC#CC2CC2)cc(N(C)S(=O)(=O)C(C)C)n1
InChIInChI=1S/C23H37N5O4S/c1-16(2)13-25-21-11-19(12-22(27-21)28(5)33(31,32)17(3)4)23(30)26-15-20(29)14-24-10-6-7-18-8-9-18/h11-12,16-18,20,24,29H,8-10,13-15H2,1-5H3,(H,25,27)(H,26,30)
InChIKeyLRTWPGXAUAHOIB-UHFFFAOYSA-N
XLogP1.42
TPSA123.66 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S,3R)-4-(3-cyclopropylprop-2-ynylamino)-1-(3,5-difluorophenoxy)-3-hydroxybutan-2-yl]-2-[[(1S,2S)-2-methylcyclopropyl]methylamino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
CID 70214483
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
5-bromo-1-N-[(2S,3R)-4-(3-cyclopropylprop-2-ynylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 70214446
N-(2-cyclopropyl-2-hydroxyethyl)-3,5-dimethylbenzamide
CID 55172737
2-(cyclobutylamino)-N-[(2S)-2-hydroxy-3-[6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-[2-methoxyethyl(methyl)amino]pyridine-4-carboxamide
CID 159602022
2-(cyclobutylamino)-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]-6-[2-methoxyethyl(methyl)amino]pyridine-4-carboxamide
CID 166672398
2-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(dimethylamino)pyridine-4-carboxamide
CID 118553870
N-[2-[cyclopropyl(methyl)amino]propyl]-2-(ethylamino)pyridine-4-carboxamide
CID 103738168
2-chloro-6-(2-methylpropylamino)pyridine-4-carboxamide
CID 87531702
N-[(2S,3R)-1-(3-bromophenoxy)-3-hydroxy-4-[[3-(trifluoromethyl)phenyl]methylamino]butan-2-yl]-2-[cyclopropylmethyl(methyl)amino]-6-[methyl(propan-2-ylsulfonyl)amino]pyridine-4-carboxamide
CID 70235639
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361984
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361940

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide?
The IUPAC name of N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide (CID 91289636) is N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide is CC(C)CNc1cc(C(=O)NCC(O)CNCC#CC2CC2)cc(N(C)S(=O)(=O)C(C)C)n1.
What is the InChIKey of N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide?
The InChIKey is LRTWPGXAUAHOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N5O4S/c1-16(2)13-25-21-11-19(12-22(27-21)28(5)33(31,32)17(3)4)23(30)26-15-20(29)14-24-10-6-7-18-8-9-18/h11-12,16-18,20,24,29H,8-10,13-15H2,1-5H3,(H,25,27)(H,26,30).
What are the key properties of N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide?
N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide has a molecular weight of 479.65 g/mol, XLogP of 1.42, 12 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyclopropylprop-2-ynylamino)-2-hydroxypropyl]-2-[methyl(propan-2-ylsulfonyl)amino]-6-(2-methylpropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 91289636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).