N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide

C18H23N5O2 — CID 110123533

IUPACN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCC1(O)CCCN(c2cnccn2)C1
InChIInChI=1S/C18H23N5O2/c24-17(5-4-15-3-1-7-19-11-15)22-13-18(25)6-2-10-23(14-18)16-12-20-8-9-21-16/h1,3,7-9,11-12,25H,2,4-6,10,13-14H2,(H,22,24)
InChIKeySVQQONCZUVLAGO-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.95
Rot. Bonds6

About N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide

N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide (PubChem CID 110123533) has the molecular formula C18H23N5O2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
PubChem CID110123533
Molecular FormulaC18H23N5O2
Molecular Weight341.41 g/mol
Exact Mass341.19
IUPAC NameN-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCC1(O)CCCN(c2cnccn2)C1
InChIInChI=1S/C18H23N5O2/c24-17(5-4-15-3-1-7-19-11-15)22-13-18(25)6-2-10-23(14-18)16-12-20-8-9-21-16/h1,3,7-9,11-12,25H,2,4-6,10,13-14H2,(H,22,24)
InChIKeySVQQONCZUVLAGO-UHFFFAOYSA-N
XLogP0.95
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-pyridin-3-ylpropanamide
CID 110123804
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 110123600
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-imidazol-1-ylbutanamide
CID 124965049
N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]-3-thiophen-2-ylpropanamide
CID 110123769
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
CID 124941727
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyrazin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110123809
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 110123546
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-(methoxymethyl)benzamide
CID 110123551
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-4-(piperidin-1-ylmethyl)benzamide
CID 124961649
2-(2-ethylimidazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]acetamide
CID 124944278
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-3-(imidazol-1-ylmethyl)benzamide
CID 124957377

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide (CID 110123533) is N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)NCC1(O)CCCN(c2cnccn2)C1.
What is the InChIKey of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide?
The InChIKey is SVQQONCZUVLAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c24-17(5-4-15-3-1-7-19-11-15)22-13-18(25)6-2-10-23(14-18)16-12-20-8-9-21-16/h1,3,7-9,11-12,25H,2,4-6,10,13-14H2,(H,22,24).
What are the key properties of N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide?
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide has a molecular weight of 341.41 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110123533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).