N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide

C28H35N7O4 — CID 12052962

IUPACN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide
SMILESCCCn1c(N)c(NC(=O)c2nccnc2C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)n(CCC)c1=O
InChIInChI=1S/C28H35N7O4/c1-3-14-34-24(29)23(27(38)35(15-4-2)28(34)39)32-25(36)21-22(31-13-12-30-21)26(37)33-16-10-20(11-17-33)18-19-8-6-5-7-9-19/h5-9,12-13,20H,3-4,10-11,14-18,29H2,1-2H3,(H,32,36)
InChIKeyDJHGDNGITHWNOU-UHFFFAOYSA-N
MW533.63 g/mol
LogP2.55
Rot. Bonds9

About N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide

N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide (PubChem CID 12052962) has the molecular formula C28H35N7O4 and a molecular weight of 533.63 g/mol. Its IUPAC name is N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide
PubChem CID12052962
Molecular FormulaC28H35N7O4
Molecular Weight533.63 g/mol
Exact Mass533.28
IUPAC NameN-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide
SMILESCCCn1c(N)c(NC(=O)c2nccnc2C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)n(CCC)c1=O
InChIInChI=1S/C28H35N7O4/c1-3-14-34-24(29)23(27(38)35(15-4-2)28(34)39)32-25(36)21-22(31-13-12-30-21)26(37)33-16-10-20(11-17-33)18-19-8-6-5-7-9-19/h5-9,12-13,20H,3-4,10-11,14-18,29H2,1-2H3,(H,32,36)
InChIKeyDJHGDNGITHWNOU-UHFFFAOYSA-N
XLogP2.55
TPSA145.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.63
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[3-(4-benzylpiperidine-1-carbonyl)pyrazin-2-yl]-4-methoxybenzamide
CID 53166526
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
3-[4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]pyrazine-2-carboxamide
CID 136530088
(4-benzylpiperidin-1-yl)-[2-(methylamino)-3-pyridinyl]methanone
CID 84575153
(4-benzylpiperidin-1-yl)-(1-methylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53162861
N-(5-amino-1,3-ditert-butylpyrazol-4-yl)-4-benzylpiperidine-1-carboxamide
CID 42684871
3-(4-benzylpiperidine-1-carbonyl)-2-methyl-5-propylfuro[3,2-c]pyridin-4-one
CID 71838340
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
(4-benzylpiperidin-1-yl)-(4,5-dimethyl-1H-pyrazol-3-yl)methanone
CID 110855772
3-(4-benzylpiperidine-1-carbonyl)-5,6-dimethyl-1H-pyrazin-2-one
CID 154795486
(4-benzylpiperidin-1-yl)-pyrido[2,3-b]pyrazin-7-ylmethanone
CID 110855826
(3-amino-2-pyridinyl)-(4-phenylpiperidin-1-yl)methanone;propan-1-ol
CID 143724925

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide (CID 12052962) is N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide is CCCn1c(N)c(NC(=O)c2nccnc2C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)n(CCC)c1=O.
What is the InChIKey of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide?
The InChIKey is DJHGDNGITHWNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O4/c1-3-14-34-24(29)23(27(38)35(15-4-2)28(34)39)32-25(36)21-22(31-13-12-30-21)26(37)33-16-10-20(11-17-33)18-19-8-6-5-7-9-19/h5-9,12-13,20H,3-4,10-11,14-18,29H2,1-2H3,(H,32,36).
What are the key properties of N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide?
N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide has a molecular weight of 533.63 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2,6-dioxo-1,3-dipropylpyrimidin-5-yl)-3-(4-benzylpiperidine-1-carbonyl)pyrazine-2-carboxamide is sourced from PubChem (CID 12052962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).