1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile

C18H21N5O2 — CID 134797682

IUPAC1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile
SMILESCCCCn1c(=O)c(C(=O)N2CCC(C#N)CC2)nc2cccnc21
InChIInChI=1S/C18H21N5O2/c1-2-3-9-23-16-14(5-4-8-20-16)21-15(18(23)25)17(24)22-10-6-13(12-19)7-11-22/h4-5,8,13H,2-3,6-7,9-11H2,1H3
InChIKeyFJVVFOCJNBCDGJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.97
Rot. Bonds4

About 1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile

1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile (PubChem CID 134797682) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile
PubChem CID134797682
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile
SMILESCCCCn1c(=O)c(C(=O)N2CCC(C#N)CC2)nc2cccnc21
InChIInChI=1S/C18H21N5O2/c1-2-3-9-23-16-14(5-4-8-20-16)21-15(18(23)25)17(24)22-10-6-13(12-19)7-11-22/h4-5,8,13H,2-3,6-7,9-11H2,1H3
InChIKeyFJVVFOCJNBCDGJ-UHFFFAOYSA-N
XLogP1.97
TPSA91.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-methoxypropyl)-2-(4-phenylpiperidine-1-carbonyl)pyrido[2,3-b]pyrazin-3-one
CID 134799498
4-butyl-N-cyclopentyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134800302
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(3-methoxypropyl)pyrido[2,3-b]pyrazin-3-one
CID 134800423
methyl 4-[4-(2-methoxyethyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134796878
CID 134795887
CID 134795887
2-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134798452
methyl 4-[4-(2-methylpropyl)-3-oxopyrido[2,3-b]pyrazine-2-carbonyl]piperazine-1-carboxylate
CID 134797766
2-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-methoxyethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797182
2-(4-benzylpiperazine-1-carbonyl)-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134802710
N-(cyclopropylmethyl)-4-(3-methoxypropyl)-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134798713
2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-(2-phenylethyl)pyrido[2,3-b]pyrazin-3-one
CID 134797015
4-(2-methoxyethyl)-2-[4-[4-(trifluoromethyl)benzoyl]piperazine-1-carbonyl]pyrido[2,3-b]pyrazin-3-one
CID 134795834

Frequently Asked Questions

What is the IUPAC name of 1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile (CID 134797682) is 1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile is CCCCn1c(=O)c(C(=O)N2CCC(C#N)CC2)nc2cccnc21.
What is the InChIKey of 1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile?
The InChIKey is FJVVFOCJNBCDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-2-3-9-23-16-14(5-4-8-20-16)21-15(18(23)25)17(24)22-10-6-13(12-19)7-11-22/h4-5,8,13H,2-3,6-7,9-11H2,1H3.
What are the key properties of 1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile?
1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile has a molecular weight of 339.40 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butyl-3-oxopyrido[2,3-b]pyrazine-2-carbonyl)piperidine-4-carbonitrile is sourced from PubChem (CID 134797682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).