1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea

C16H20N6O2 — CID 128965407

IUPAC1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea
SMILESCn1ccnc(N2CCCC(NC(=O)Nc3ccncc3)C2)c1=O
InChIInChI=1S/C16H20N6O2/c1-21-10-8-18-14(15(21)23)22-9-2-3-13(11-22)20-16(24)19-12-4-6-17-7-5-12/h4-8,10,13H,2-3,9,11H2,1H3,(H2,17,19,20,24)
InChIKeyGEVBBCGRIOIDDB-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.97
Rot. Bonds3

About 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea

1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea (PubChem CID 128965407) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea
PubChem CID128965407
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea
SMILESCn1ccnc(N2CCCC(NC(=O)Nc3ccncc3)C2)c1=O
InChIInChI=1S/C16H20N6O2/c1-21-10-8-18-14(15(21)23)22-9-2-3-13(11-22)20-16(24)19-12-4-6-17-7-5-12/h4-8,10,13H,2-3,9,11H2,1H3,(H2,17,19,20,24)
InChIKeyGEVBBCGRIOIDDB-UHFFFAOYSA-N
XLogP0.97
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]carbamate
CID 99817733
1-[(3S)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-[[(2S)-thiolan-2-yl]methyl]urea
CID 129332840
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-4-yl]-3-thiophen-3-ylurea
CID 128985624
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 154737044
2,3-difluoro-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]benzamide
CID 129475393
3-(3-hydroxypiperidin-1-yl)-1-methylpyrazin-2-one
CID 62940622
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1,3-thiazole-4-carboxamide
CID 128967028
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]imidazo[1,2-a]pyridine-5-carboxamide
CID 128989356
N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-1H-indazole-3-carboxamide
CID 167983413
4-methyl-N-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide
CID 128990786
(2R)-4-methyl-N-[(3R)-1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]morpholine-2-carboxamide
CID 129476122
3-[(3S)-3-(2,3-dihydro-1H-inden-2-ylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 129475497

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea (CID 128965407) is 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea is Cn1ccnc(N2CCCC(NC(=O)Nc3ccncc3)C2)c1=O.
What is the InChIKey of 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea?
The InChIKey is GEVBBCGRIOIDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-21-10-8-18-14(15(21)23)22-9-2-3-13(11-22)20-16(24)19-12-4-6-17-7-5-12/h4-8,10,13H,2-3,9,11H2,1H3,(H2,17,19,20,24).
What are the key properties of 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea?
1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea has a molecular weight of 328.38 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methyl-3-oxopyrazin-2-yl)piperidin-3-yl]-3-pyridin-4-ylurea is sourced from PubChem (CID 128965407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).