N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide

C20H24N4O2 — CID 3727872

IUPACN-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)CN2CCC(NC(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-15-4-2-6-18(12-15)22-19(25)14-24-10-7-17(8-11-24)23-20(26)16-5-3-9-21-13-16/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyOASXXHBKFNPKEV-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.22
Rot. Bonds5

About N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 3727872) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID3727872
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)CN2CCC(NC(=O)c3cccnc3)CC2)c1
InChIInChI=1S/C20H24N4O2/c1-15-4-2-6-18(12-15)22-19(25)14-24-10-7-17(8-11-24)23-20(26)16-5-3-9-21-13-16/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,22,25)(H,23,26)
InChIKeyOASXXHBKFNPKEV-UHFFFAOYSA-N
XLogP2.22
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(1-propylpiperidin-4-yl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55634621
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 55247301
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
4-bromo-N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 1443803
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pyrazine-2-carboxamide
CID 16613410
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidin-4-yl]thiophene-3-carboxamide
CID 47550268
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049
N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925215

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide (CID 3727872) is N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide is Cc1cccc(NC(=O)CN2CCC(NC(=O)c3cccnc3)CC2)c1.
What is the InChIKey of N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is OASXXHBKFNPKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-4-2-6-18(12-15)22-19(25)14-24-10-7-17(8-11-24)23-20(26)16-5-3-9-21-13-16/h2-6,9,12-13,17H,7-8,10-11,14H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 3727872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).