N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide

C21H28N6O3 — CID 26185601

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(C(=O)c1cn2c(C)cccc2n1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C21H28N6O3/c1-4-6-11-25(17-18(22)26(12-7-5-2)21(30)24-19(17)28)20(29)15-13-27-14(3)9-8-10-16(27)23-15/h8-10,13H,4-7,11-12,22H2,1-3H3,(H,24,28,30)
InChIKeyJKUOWCRLRGJVDX-UHFFFAOYSA-N
MW412.49 g/mol
LogP2.32
Rot. Bonds8

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 26185601) has the molecular formula C21H28N6O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID26185601
Molecular FormulaC21H28N6O3
Molecular Weight412.49 g/mol
Exact Mass412.22
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(C(=O)c1cn2c(C)cccc2n1)c1c(N)n(CCCC)c(=O)[nH]c1=O
InChIInChI=1S/C21H28N6O3/c1-4-6-11-25(17-18(22)26(12-7-5-2)21(30)24-19(17)28)20(29)15-13-27-14(3)9-8-10-16(27)23-15/h8-10,13H,4-7,11-12,22H2,1-3H3,(H,24,28,30)
InChIKeyJKUOWCRLRGJVDX-UHFFFAOYSA-N
XLogP2.32
TPSA118.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide with MolForge

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpyrazine-2-carboxamide
CID 26185693
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-butyl-3,4-difluorobenzamide
CID 30434613
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-5-phenyl-1,2-oxazole-3-carboxamide
CID 55448114
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-methylsulfanylbenzamide
CID 26185536
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-pentyl-1-benzofuran-2-carboxamide
CID 8838834
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(trifluoromethyl)benzamide
CID 26185662
(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methyl 5-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 55401912
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24982337
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,6-dichloro-N-pentylpyridine-2-carboxamide
CID 26205838
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide
CID 16550113

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 26185601) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide is CCCCN(C(=O)c1cn2c(C)cccc2n1)c1c(N)n(CCCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is JKUOWCRLRGJVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O3/c1-4-6-11-25(17-18(22)26(12-7-5-2)21(30)24-19(17)28)20(29)15-13-27-14(3)9-8-10-16(27)23-15/h8-10,13H,4-7,11-12,22H2,1-3H3,(H,24,28,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 2.32, 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-butyl-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 26185601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).