2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide

C17H26N4O3 — CID 110123809

IUPAC2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NCC1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C17H26N4O3/c22-15(10-16(23)4-2-1-3-5-16)20-12-17(24)6-9-21(13-17)14-11-18-7-8-19-14/h7-8,11,23-24H,1-6,9-10,12-13H2,(H,20,22)
InChIKeyQKUGLPLJPYOIRR-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.62
Rot. Bonds5

About 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide

2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide (PubChem CID 110123809) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide
PubChem CID110123809
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide
SMILESO=C(CC1(O)CCCCC1)NCC1(O)CCN(c2cnccn2)C1
InChIInChI=1S/C17H26N4O3/c22-15(10-16(23)4-2-1-3-5-16)20-12-17(24)6-9-21(13-17)14-11-18-7-8-19-14/h7-8,11,23-24H,1-6,9-10,12-13H2,(H,20,22)
InChIKeyQKUGLPLJPYOIRR-UHFFFAOYSA-N
XLogP0.62
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-morpholin-4-ylacetamide
CID 125017904
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123804
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-imidazol-1-ylbutanamide
CID 124965049
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123533
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 110123752
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 125007177
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110123769
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988701
2-(2-ethylimidazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]acetamide
CID 124944278
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124966264
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl]methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 124999254
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 124961649

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide?
The IUPAC name of 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide (CID 110123809) is 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide is O=C(CC1(O)CCCCC1)NCC1(O)CCN(c2cnccn2)C1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide?
The InChIKey is QKUGLPLJPYOIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-15(10-16(23)4-2-1-3-5-16)20-12-17(24)6-9-21(13-17)14-11-18-7-8-19-14/h7-8,11,23-24H,1-6,9-10,12-13H2,(H,20,22).
What are the key properties of 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide?
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide is sourced from PubChem (CID 110123809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).