N-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide

C24H37N5O2S — CID 86763276

IUPACN-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
SMILESCCN(c1scc(C(=O)NCc2c(C)[nH]c(C)c(N)c2=O)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/h13,17-18H,7-12,25H2,1-6H3,(H,26,31)(H,27,30)
InChIKeyRGHDJONNJIYGHV-UHFFFAOYSA-N
MW459.66 g/mol
LogP3.57
Rot. Bonds7

About N-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide

N-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide (PubChem CID 86763276) 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-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
PubChem CID86763276
Molecular FormulaC24H37N5O2S
Molecular Weight459.66 g/mol
Exact Mass459.27
IUPAC NameN-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide
SMILESCCN(c1scc(C(=O)NCc2c(C)[nH]c(C)c(N)c2=O)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/h13,17-18H,7-12,25H2,1-6H3,(H,26,31)(H,27,30)
InChIKeyRGHDJONNJIYGHV-UHFFFAOYSA-N
XLogP3.57
TPSA94.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2,6-dimethyl-4-oxo-1H-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-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide (CID 86763276) is N-[(5-amino-2,6-dimethyl-4-oxo-1H-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-1H-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-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide is CCN(c1scc(C(=O)NCc2c(C)[nH]c(C)c(N)c2=O)c1C)C1CCC(N(C)C)CC1.
What is the InChIKey of N-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide?
The InChIKey is RGHDJONNJIYGHV-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/h13,17-18H,7-12,25H2,1-6H3,(H,26,31)(H,27,30).
What are the key properties of N-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide?
N-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide has a molecular weight of 459.66 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-5-[[4-(dimethylamino)cyclohexyl]-ethylamino]-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 86763276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).