N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide

C19H21N3O4 — CID 108924745

IUPACN-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1cccnc1
InChIInChI=1S/C19H21N3O4/c23-16-8-15(9-17(24)10-16)19(26)22-6-3-13(4-7-22)11-21-18(25)14-2-1-5-20-12-14/h1-2,5,8-10,12-13,23-24H,3-4,6-7,11H2,(H,21,25)
InChIKeyGSYBDYGOSVHJON-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.77
Rot. Bonds4

About N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide

N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide (PubChem CID 108924745) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
PubChem CID108924745
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC NameN-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1cccnc1
InChIInChI=1S/C19H21N3O4/c23-16-8-15(9-17(24)10-16)19(26)22-6-3-13(4-7-22)11-21-18(25)14-2-1-5-20-12-14/h1-2,5,8-10,12-13,23-24H,3-4,6-7,11H2,(H,21,25)
InChIKeyGSYBDYGOSVHJON-UHFFFAOYSA-N
XLogP1.77
TPSA102.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924591
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924568
N-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924742
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 90521319
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 90521311
N-[[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924696
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 90521312
3-methoxy-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 108924717
2-(3-fluorophenyl)-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108924769
N-[[1-[2-(1-benzofuran-2-yl)-2-oxoacetyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 56588503
3-methyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]butanamide
CID 90521307

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide (CID 108924745) is N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide is O=C(NCC1CCN(C(=O)c2cc(O)cc(O)c2)CC1)c1cccnc1.
What is the InChIKey of N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
The InChIKey is GSYBDYGOSVHJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c23-16-8-15(9-17(24)10-16)19(26)22-6-3-13(4-7-22)11-21-18(25)14-2-1-5-20-12-14/h1-2,5,8-10,12-13,23-24H,3-4,6-7,11H2,(H,21,25).
What are the key properties of N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide?
N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide has a molecular weight of 355.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 108924745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).