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

C19H27N5O2 — CID 110124103

IUPACN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide
SMILESCN(CC1(O)CCCN(c2ccccn2)C1)C(=O)CCCn1cccn1
InChIInChI=1S/C19H27N5O2/c1-22(18(25)8-4-13-24-14-6-11-21-24)15-19(26)9-5-12-23(16-19)17-7-2-3-10-20-17/h2-3,6-7,10-11,14,26H,4-5,8-9,12-13,15-16H2,1H3
InChIKeyKDNSQQONQSVGIE-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.55
Rot. Bonds7

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

N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide (PubChem CID 110124103) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide
PubChem CID110124103
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC NameN-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide
SMILESCN(CC1(O)CCCN(c2ccccn2)C1)C(=O)CCCn1cccn1
InChIInChI=1S/C19H27N5O2/c1-22(18(25)8-4-13-24-14-6-11-21-24)15-19(26)9-5-12-23(16-19)17-7-2-3-10-20-17/h2-3,6-7,10-11,14,26H,4-5,8-9,12-13,15-16H2,1H3
InChIKeyKDNSQQONQSVGIE-UHFFFAOYSA-N
XLogP1.55
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-pyrazol-1-ylbutanamide
CID 124972319
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-4-pyrazol-1-ylbutanamide
CID 110124102
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 110124042
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
CID 110124246
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110124186
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 125025521
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
CID 125015256
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethylpyrazine-2-carboxamide
CID 124979178
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 110124022
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124996231
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
CID 124965660
3-ethyl-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124959595

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
The IUPAC name of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide (CID 110124103) is N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
The canonical SMILES for N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide is CN(CC1(O)CCCN(c2ccccn2)C1)C(=O)CCCn1cccn1.
What is the InChIKey of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
The InChIKey is KDNSQQONQSVGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-22(18(25)8-4-13-24-14-6-11-21-24)15-19(26)9-5-12-23(16-19)17-7-2-3-10-20-17/h2-3,6-7,10-11,14,26H,4-5,8-9,12-13,15-16H2,1H3.
What are the key properties of N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide?
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-N-methyl-4-pyrazol-1-ylbutanamide has a molecular weight of 357.46 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 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]-N-methyl-4-pyrazol-1-ylbutanamide is sourced from PubChem (CID 110124103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).