N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide

C25H31N5O3 — CID 31849707

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C25H31N5O3/c1-15(2)13-29(21-22(26)30(14-16(3)4)25(33)28-23(21)31)24(32)19-11-12-20(27-17(19)5)18-9-7-6-8-10-18/h6-12,15-16H,13-14,26H2,1-5H3,(H,28,31,33)
InChIKeyUQIWOQTXRHSRFG-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.45
Rot. Bonds7

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide (PubChem CID 31849707) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide
PubChem CID31849707
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C25H31N5O3/c1-15(2)13-29(21-22(26)30(14-16(3)4)25(33)28-23(21)31)24(32)19-11-12-20(27-17(19)5)18-9-7-6-8-10-18/h6-12,15-16H,13-14,26H2,1-5H3,(H,28,31,33)
InChIKeyUQIWOQTXRHSRFG-UHFFFAOYSA-N
XLogP3.45
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide (CID 31849707) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide?
The InChIKey is UQIWOQTXRHSRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-15(2)13-29(21-22(26)30(14-16(3)4)25(33)28-23(21)31)24(32)19-11-12-20(27-17(19)5)18-9-7-6-8-10-18/h6-12,15-16H,13-14,26H2,1-5H3,(H,28,31,33).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-methyl-N-(2-methylpropyl)-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 31849707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).