N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

C23H29N3O3 — CID 136530424

IUPACN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2ccnc(OC3CCOC3)c2)CC1
InChIInChI=1S/C23H29N3O3/c1-17-4-2-3-5-19(17)15-26-11-7-20(8-12-26)25-23(27)18-6-10-24-22(14-18)29-21-9-13-28-16-21/h2-6,10,14,20-21H,7-9,11-13,15-16H2,1H3,(H,25,27)
InChIKeyANPNYHCIZPJSQU-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.95
Rot. Bonds6

About N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide

N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide (PubChem CID 136530424) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
PubChem CID136530424
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
SMILESCc1ccccc1CN1CCC(NC(=O)c2ccnc(OC3CCOC3)c2)CC1
InChIInChI=1S/C23H29N3O3/c1-17-4-2-3-5-19(17)15-26-11-7-20(8-12-26)25-23(27)18-6-10-24-22(14-18)29-21-9-13-28-16-21/h2-6,10,14,20-21H,7-9,11-13,15-16H2,1H3,(H,25,27)
InChIKeyANPNYHCIZPJSQU-UHFFFAOYSA-N
XLogP2.95
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclododecyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 121160706
N-cyclohexyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815236
N-(2,3-dihydro-1H-inden-2-yl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 166214316
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]furan-3-carboxamide
CID 136577828
N-methyl-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 75504581
2-(oxolan-3-yloxy)pyridine-4-carboxylic acid
CID 63559237
N-(1-benzylpiperidin-4-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815641
N-[2-(2-methylindol-1-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815307
N-(3,3-diphenylpropyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815243
N-(3-methylphenyl)-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815245
N-[3-(dimethylamino)propyl]-2-[(3S)-oxolan-3-yl]oxypyridine-4-carboxamide
CID 124617634
N-[3-(dimethylamino)propyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 91815235

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The IUPAC name of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide (CID 136530424) is N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide is Cc1ccccc1CN1CCC(NC(=O)c2ccnc(OC3CCOC3)c2)CC1.
What is the InChIKey of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
The InChIKey is ANPNYHCIZPJSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-17-4-2-3-5-19(17)15-26-11-7-20(8-12-26)25-23(27)18-6-10-24-22(14-18)29-21-9-13-28-16-21/h2-6,10,14,20-21H,7-9,11-13,15-16H2,1H3,(H,25,27).
What are the key properties of N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide?
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide is sourced from PubChem (CID 136530424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).