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

C28H30N6O3 — CID 112830376

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(N(C)c3ccccc3)nc2)c(=O)[nH]c1=O
InChIInChI=1S/C28H30N6O3/c1-3-4-17-33-25(29)24(26(35)31-28(33)37)34(19-20-11-7-5-8-12-20)27(36)21-15-16-23(30-18-21)32(2)22-13-9-6-10-14-22/h5-16,18H,3-4,17,19,29H2,1-2H3,(H,31,35,37)
InChIKeyBUYSPUCWFRRMPY-UHFFFAOYSA-N
MW498.59 g/mol
LogP3.93
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide (PubChem CID 112830376) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide
PubChem CID112830376
Molecular FormulaC28H30N6O3
Molecular Weight498.59 g/mol
Exact Mass498.24
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc(N(C)c3ccccc3)nc2)c(=O)[nH]c1=O
InChIInChI=1S/C28H30N6O3/c1-3-4-17-33-25(29)24(26(35)31-28(33)37)34(19-20-11-7-5-8-12-20)27(36)21-15-16-23(30-18-21)32(2)22-13-9-6-10-14-22/h5-16,18H,3-4,17,19,29H2,1-2H3,(H,31,35,37)
InChIKeyBUYSPUCWFRRMPY-UHFFFAOYSA-N
XLogP3.93
TPSA117.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide with MolForge

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylfuran-2-carboxamide
CID 18084185
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-benzyl-2,5-dimethylpyrazole-3-carboxamide
CID 55883038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-bromofuran-2-carboxamide
CID 26186357
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide
CID 26186335
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide
CID 26186362
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylbut-2-enamide
CID 30659785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-(4-fluorophenoxy)propanamide
CID 30841957
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-fluoro-N-[(2-methoxyphenyl)methyl]benzamide
CID 2683038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
CID 8914359

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide (CID 112830376) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide is CCCCn1c(N)c(N(Cc2ccccc2)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-benzyl-6-(N-methylanilino)pyridine-3-carboxamide?
The InChIKey is BUYSPUCWFRRMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-3-4-17-33-25(29)24(26(35)31-28(33)37)34(19-20-11-7-5-8-12-20)27(36)21-15-16-23(30-18-21)32(2)22-13-9-6-10-14-22/h5-16,18H,3-4,17,19,29H2,1-2H3,(H,31,35,37).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide has a molecular weight of 498.59 g/mol, XLogP of 3.93, 9 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-benzyl-6-(N-methylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 112830376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).