N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide

C22H30N4O — CID 131892139

IUPACN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCc1ccc(C(NC(=O)CN(C)C2CCNCC2)c2cccnc2)cc1C
InChIInChI=1S/C22H30N4O/c1-16-6-7-18(13-17(16)2)22(19-5-4-10-24-14-19)25-21(27)15-26(3)20-8-11-23-12-9-20/h4-7,10,13-14,20,22-23H,8-9,11-12,15H2,1-3H3,(H,25,27)
InChIKeyINLHNKSNFNXRCY-UHFFFAOYSA-N
MW366.51 g/mol
LogP2.59
Rot. Bonds6

About N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide

N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 131892139) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID131892139
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCc1ccc(C(NC(=O)CN(C)C2CCNCC2)c2cccnc2)cc1C
InChIInChI=1S/C22H30N4O/c1-16-6-7-18(13-17(16)2)22(19-5-4-10-24-14-19)25-21(27)15-26(3)20-8-11-23-12-9-20/h4-7,10,13-14,20,22-23H,8-9,11-12,15H2,1-3H3,(H,25,27)
InChIKeyINLHNKSNFNXRCY-UHFFFAOYSA-N
XLogP2.59
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 77090509
2-(4-chlorophenyl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]acetamide
CID 20897057
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-methylpropanamide
CID 92500236
2-[methyl(piperidin-4-yl)amino]-N-[(1S)-1-(3-methyl-2-pyridinyl)ethyl]acetamide
CID 125442607
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-4-sulfamoylbutanamide
CID 131900152
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-1-(2-hydroxyethyl)piperidine-4-carboxamide
CID 74243950
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)propanamide
CID 70706905
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-3-methylbenzamide
CID 20897042
2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 122558372
N-[(1S)-1-(3,5-difluorophenyl)ethyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 99935705
N-[(R)-(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-fluorobenzamide
CID 92500240
3-(2-amino-1,3-thiazol-4-yl)-N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]propanamide
CID 74245190

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide (CID 131892139) is N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide is Cc1ccc(C(NC(=O)CN(C)C2CCNCC2)c2cccnc2)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is INLHNKSNFNXRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-16-6-7-18(13-17(16)2)22(19-5-4-10-24-14-19)25-21(27)15-26(3)20-8-11-23-12-9-20/h4-7,10,13-14,20,22-23H,8-9,11-12,15H2,1-3H3,(H,25,27).
What are the key properties of N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide?
N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 366.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-pyridin-3-ylmethyl]-2-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 131892139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).