N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide

C18H25N5O2 — CID 110124102

IUPACN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)NCC1(O)CCCN(c2ccccn2)C1
InChIInChI=1S/C18H25N5O2/c24-17(7-3-12-23-13-5-10-21-23)20-14-18(25)8-4-11-22(15-18)16-6-1-2-9-19-16/h1-2,5-6,9-10,13,25H,3-4,7-8,11-12,14-15H2,(H,20,24)
InChIKeyKRHHQOSIAMMWBY-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.21
Rot. Bonds7

About N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide (PubChem CID 110124102) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
PubChem CID110124102
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
SMILESO=C(CCCn1cccn1)NCC1(O)CCCN(c2ccccn2)C1
InChIInChI=1S/C18H25N5O2/c24-17(7-3-12-23-13-5-10-21-23)20-14-18(25)8-4-11-22(15-18)16-6-1-2-9-19-16/h1-2,5-6,9-10,13,25H,3-4,7-8,11-12,14-15H2,(H,20,24)
InChIKeyKRHHQOSIAMMWBY-UHFFFAOYSA-N
XLogP1.21
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide (CID 110124102) is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide is O=C(CCCn1cccn1)NCC1(O)CCCN(c2ccccn2)C1.
What is the InChIKey of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide?
The InChIKey is KRHHQOSIAMMWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-17(7-3-12-23-13-5-10-21-23)20-14-18(25)8-4-11-22(15-18)16-6-1-2-9-19-16/h1-2,5-6,9-10,13,25H,3-4,7-8,11-12,14-15H2,(H,20,24).
What are the key properties of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide?
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide has a molecular weight of 343.43 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 110124102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).