N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide

C23H28N6O3 — CID 112830400

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2ccc(N(C)c3ccccc3)nc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N6O3/c1-4-6-14-29-20(24)19(21(30)26-23(29)32)28(5-2)22(31)16-12-13-18(25-15-16)27(3)17-10-8-7-9-11-17/h7-13,15H,4-6,14,24H2,1-3H3,(H,26,30,32)
InChIKeyLQWFVVMEPCZFAH-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.75
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 112830400) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide
PubChem CID112830400
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2ccc(N(C)c3ccccc3)nc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N6O3/c1-4-6-14-29-20(24)19(21(30)26-23(29)32)28(5-2)22(31)16-12-13-18(25-15-16)27(3)17-10-8-7-9-11-17/h7-13,15H,4-6,14,24H2,1-3H3,(H,26,30,32)
InChIKeyLQWFVVMEPCZFAH-UHFFFAOYSA-N
XLogP2.75
TPSA117.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-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-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830376
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-6-chloro-N-ethylpyridine-3-carboxamide
CID 29309904
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-6-methylpyridine-3-carboxamide
CID 30289922
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 32620486
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-phenoxypropanamide
CID 29310095
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-ethoxy-N-ethylbenzamide
CID 18077269
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-bromo-N-ethylbenzamide
CID 7925744
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-ethylpyridine-3-carboxamide
CID 29309908
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide
CID 29310153
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-[ethyl(phenyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 24980898
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-propoxybenzamide
CID 26196356
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide (CID 112830400) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide is CCCCn1c(N)c(N(CC)C(=O)c2ccc(N(C)c3ccccc3)nc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is LQWFVVMEPCZFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-4-6-14-29-20(24)19(21(30)26-23(29)32)28(5-2)22(31)16-12-13-18(25-15-16)27(3)17-10-8-7-9-11-17/h7-13,15H,4-6,14,24H2,1-3H3,(H,26,30,32).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 112830400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).