N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide

C21H28N4O — CID 118789936

IUPACN-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccccc1C(NC(=O)CCN1CCN(C)CC1)c1ccncc1
InChIInChI=1S/C21H28N4O/c1-17-5-3-4-6-19(17)21(18-7-10-22-11-8-18)23-20(26)9-12-25-15-13-24(2)14-16-25/h3-8,10-11,21H,9,12-16H2,1-2H3,(H,23,26)
InChIKeyVZHGDOXTIZXPGP-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.23
Rot. Bonds6

About N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide

N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide (PubChem CID 118789936) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
PubChem CID118789936
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide
SMILESCc1ccccc1C(NC(=O)CCN1CCN(C)CC1)c1ccncc1
InChIInChI=1S/C21H28N4O/c1-17-5-3-4-6-19(17)21(18-7-10-22-11-8-18)23-20(26)9-12-25-15-13-24(2)14-16-25/h3-8,10-11,21H,9,12-16H2,1-2H3,(H,23,26)
InChIKeyVZHGDOXTIZXPGP-UHFFFAOYSA-N
XLogP2.23
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-3-(2-oxoazepan-1-yl)propanamide
CID 125165780
1-[(4-hydroxy-1-methylpiperidin-4-yl)methyl]-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]urea
CID 126448565
N-[(S)-(2-methylphenyl)-phenylmethyl]-2-pyridin-4-ylacetamide
CID 95228803
4-(azepan-1-yl)-N-[(R)-(2,5-dimethylphenyl)-pyridin-4-ylmethyl]butanamide
CID 92556031
1-methyl-3-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-1-(3-morpholin-4-ylpropyl)urea
CID 126436882
N-[(R)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
CID 92558586
N-[(S)-(3,4-dimethylphenyl)-pyridin-4-ylmethyl]-3-morpholin-4-ylpropanamide
CID 92558587
2-[carbamoyl(methyl)amino]-N-[(S)-(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 126423419
3-(4-methylpiperazin-1-yl)-N-[1-(3-methyl-2-pyridinyl)propyl]propanamide
CID 118768572
2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(2-methylphenyl)-pyridin-4-ylmethyl]acetamide
CID 77095713
N-[(R)-(2-methylphenyl)-pyridin-4-ylmethyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 125176787
N-[(1R)-1,2-diphenylethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 125175804

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The IUPAC name of N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide (CID 118789936) is N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The canonical SMILES for N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide is Cc1ccccc1C(NC(=O)CCN1CCN(C)CC1)c1ccncc1.
What is the InChIKey of N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide?
The InChIKey is VZHGDOXTIZXPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17-5-3-4-6-19(17)21(18-7-10-22-11-8-18)23-20(26)9-12-25-15-13-24(2)14-16-25/h3-8,10-11,21H,9,12-16H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide?
N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide has a molecular weight of 352.48 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)-pyridin-4-ylmethyl]-3-(4-methylpiperazin-1-yl)propanamide is sourced from PubChem (CID 118789936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).