1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea

C19H28N6O3 — CID 53021644

IUPAC1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
SMILESCCOCCCNC(=O)NC1CCN(c2nc3cccnc3n(C)c2=O)CC1
InChIInChI=1S/C19H28N6O3/c1-3-28-13-5-10-21-19(27)22-14-7-11-25(12-8-14)17-18(26)24(2)16-15(23-17)6-4-9-20-16/h4,6,9,14H,3,5,7-8,10-13H2,1-2H3,(H2,21,22,27)
InChIKeyWOSBCTWBTIZFAR-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.02
Rot. Bonds7

About 1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea

1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea (PubChem CID 53021644) has the molecular formula C19H28N6O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
PubChem CID53021644
Molecular FormulaC19H28N6O3
Molecular Weight388.47 g/mol
Exact Mass388.22
IUPAC Name1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
SMILESCCOCCCNC(=O)NC1CCN(c2nc3cccnc3n(C)c2=O)CC1
InChIInChI=1S/C19H28N6O3/c1-3-28-13-5-10-21-19(27)22-14-7-11-25(12-8-14)17-18(26)24(2)16-15(23-17)6-4-9-20-16/h4,6,9,14H,3,5,7-8,10-13H2,1-2H3,(H2,21,22,27)
InChIKeyWOSBCTWBTIZFAR-UHFFFAOYSA-N
XLogP1.02
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-butan-2-yl]-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea
CID 95053319
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(2-methoxyethyl)urea
CID 53021717
N-(3-ethoxypropyl)-1-(4-methyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
CID 30444209
N-(3-methoxypropyl)-4-methyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 53189744
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperidine-4-carboxamide
CID 50781359
N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781259
1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50781257
1-[1-(3-oxo-4-prop-2-enylpyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-propan-2-ylurea
CID 83272856
1-tert-butyl-3-[1-[4-[(4-methylphenyl)methyl]-3-oxopyrido[2,3-b]pyrazin-2-yl]piperidin-4-yl]urea
CID 83276797
2-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172892019
4-butyl-N-cyclopentyl-3-oxopyrido[2,3-b]pyrazine-2-carboxamide
CID 134800302
1-[1-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]-3-(4-methylphenyl)urea
CID 53021678

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea?
The IUPAC name of 1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea (CID 53021644) is 1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea?
The canonical SMILES for 1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea is CCOCCCNC(=O)NC1CCN(c2nc3cccnc3n(C)c2=O)CC1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea?
The InChIKey is WOSBCTWBTIZFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O3/c1-3-28-13-5-10-21-19(27)22-14-7-11-25(12-8-14)17-18(26)24(2)16-15(23-17)6-4-9-20-16/h4,6,9,14H,3,5,7-8,10-13H2,1-2H3,(H2,21,22,27).
What are the key properties of 1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea?
1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea has a molecular weight of 388.47 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-[1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidin-4-yl]urea is sourced from PubChem (CID 53021644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).