N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide

C18H23N5O3 — CID 167943453

IUPACN-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(CC1CCCN(C(=O)Cc2cncc(O)c2)C1)C(=O)c1cn[nH]c1
InChIInChI=1S/C18H23N5O3/c1-22(18(26)15-8-20-21-9-15)11-13-3-2-4-23(12-13)17(25)6-14-5-16(24)10-19-7-14/h5,7-10,13,24H,2-4,6,11-12H2,1H3,(H,20,21)
InChIKeyVHOJFHGMYDPSIB-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.06
Rot. Bonds5

About N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide

N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 167943453) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID167943453
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(CC1CCCN(C(=O)Cc2cncc(O)c2)C1)C(=O)c1cn[nH]c1
InChIInChI=1S/C18H23N5O3/c1-22(18(26)15-8-20-21-9-15)11-13-3-2-4-23(12-13)17(25)6-14-5-16(24)10-19-7-14/h5,7-10,13,24H,2-4,6,11-12H2,1H3,(H,20,21)
InChIKeyVHOJFHGMYDPSIB-UHFFFAOYSA-N
XLogP1.06
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(bromomethyl)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 80660595
benzyl N-[[(3R)-1-(2-chloroacetyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 96553929
2-(5-hydroxy-3-pyridinyl)-1-[3-[1-(5H-pyrrolo[2,3-b]pyrazine-2-carbonyl)piperidin-3-yl]piperidin-1-yl]ethanone
CID 166328151
1-(3-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399726
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61399395
[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63616448
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
CID 58347663
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
N-benzyl-N-methyl-5-[[(3R)-1-methylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 95829439
5-hydroxy-N-[[1-(2-phenylacetyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 166186078
1-[(3R)-3-aminopiperidin-1-yl]-2-(3-hydroxyphenyl)ethanone
CID 102983816
5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide
CID 167743733

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide (CID 167943453) is N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide is CN(CC1CCCN(C(=O)Cc2cncc(O)c2)C1)C(=O)c1cn[nH]c1.
What is the InChIKey of N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is VHOJFHGMYDPSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-22(18(26)15-8-20-21-9-15)11-13-3-2-4-23(12-13)17(25)6-14-5-16(24)10-19-7-14/h5,7-10,13,24H,2-4,6,11-12H2,1H3,(H,20,21).
What are the key properties of N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide?
N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(5-hydroxy-3-pyridinyl)acetyl]piperidin-3-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 167943453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).