N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide

C24H37N5O2S — CID 134819732

IUPACN-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
SMILESCCN(c1scc(C(=O)NCC2C(=O)C(N)=C(C)N=C2C)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C24H37N5O2S/c1-7-29(18-10-8-17(9-11-18)28(5)6)24-14(2)20(13-32-24)23(31)26-12-19-15(3)27-16(4)21(25)22(19)30/h13,17-19H,7-12,25H2,1-6H3,(H,26,31)
InChIKeySCTVKSNCBUACPT-UHFFFAOYSA-N
MW459.66 g/mol
LogP3.34
Rot. Bonds7

About N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide

N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide (PubChem CID 134819732) has the molecular formula C24H37N5O2S and a molecular weight of 459.66 g/mol. Its IUPAC name is N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
PubChem CID134819732
Molecular FormulaC24H37N5O2S
Molecular Weight459.66 g/mol
Exact Mass459.27
IUPAC NameN-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
SMILESCCN(c1scc(C(=O)NCC2C(=O)C(N)=C(C)N=C2C)c1C)C1CCC(N(C)C)CC1
InChIInChI=1S/C24H37N5O2S/c1-7-29(18-10-8-17(9-11-18)28(5)6)24-14(2)20(13-32-24)23(31)26-12-19-15(3)27-16(4)21(25)22(19)30/h13,17-19H,7-12,25H2,1-6H3,(H,26,31)
InChIKeySCTVKSNCBUACPT-UHFFFAOYSA-N
XLogP3.34
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide?
The IUPAC name of N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide (CID 134819732) is N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide is CCN(c1scc(C(=O)NCC2C(=O)C(N)=C(C)N=C2C)c1C)C1CCC(N(C)C)CC1.
What is the InChIKey of N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide?
The InChIKey is SCTVKSNCBUACPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O2S/c1-7-29(18-10-8-17(9-11-18)28(5)6)24-14(2)20(13-32-24)23(31)26-12-19-15(3)27-16(4)21(25)22(19)30/h13,17-19H,7-12,25H2,1-6H3,(H,26,31).
What are the key properties of N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide?
N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide has a molecular weight of 459.66 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2,6-dimethyl-4-oxo-3H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 134819732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).