N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide

C21H28N4O — CID 174663762

IUPACN-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide
SMILESCN1CCC(N(Cc2ccc(CN)cc2)C(=O)Cc2ccncc2)CC1
InChIInChI=1S/C21H28N4O/c1-24-12-8-20(9-13-24)25(16-19-4-2-18(15-22)3-5-19)21(26)14-17-6-10-23-11-7-17/h2-7,10-11,20H,8-9,12-16,22H2,1H3
InChIKeyZUHKBCRUFSUQCD-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.21
Rot. Bonds6

About N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide

N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide (PubChem CID 174663762) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide
PubChem CID174663762
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide
SMILESCN1CCC(N(Cc2ccc(CN)cc2)C(=O)Cc2ccncc2)CC1
InChIInChI=1S/C21H28N4O/c1-24-12-8-20(9-13-24)25(16-19-4-2-18(15-22)3-5-19)21(26)14-17-6-10-23-11-7-17/h2-7,10-11,20H,8-9,12-16,22H2,1H3
InChIKeyZUHKBCRUFSUQCD-UHFFFAOYSA-N
XLogP2.21
TPSA62.46 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 47011276
2-(4-iodophenyl)-N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)acetamide
CID 68956341
N-[(4-methylphenyl)methyl]-N-(1-methylpiperidin-4-yl)-2-(4-propylphenyl)acetamide;hydrochloride
CID 23512950
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3-(tetrazol-1-yl)propanamide
CID 70763922
methyl 4-[[[2-(4-methylphenyl)acetyl]-(1-methylpiperidin-4-yl)amino]methyl]benzoate
CID 69013818
(4S)-N-cyclopropyl-4-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)pentanamide
CID 124754969
(3R)-3-amino-N-cyclopropyl-N-(pyridin-4-ylmethyl)butanamide
CID 93368626
5-chloro-2-hydroxy-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 56903356
3-[cyclopropyl(pyridin-4-ylmethyl)amino]-3-oxopropanoic acid
CID 62230754
(2R)-N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 95895548
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 72855778
2-[4-(aminomethyl)phenyl]-N-cyclobutyl-N-(2-hydroxyethyl)acetamide
CID 102858984

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide?
The IUPAC name of N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide (CID 174663762) is N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide is CN1CCC(N(Cc2ccc(CN)cc2)C(=O)Cc2ccncc2)CC1.
What is the InChIKey of N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide?
The InChIKey is ZUHKBCRUFSUQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-24-12-8-20(9-13-24)25(16-19-4-2-18(15-22)3-5-19)21(26)14-17-6-10-23-11-7-17/h2-7,10-11,20H,8-9,12-16,22H2,1H3.
What are the key properties of N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide?
N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide has a molecular weight of 352.48 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)phenyl]methyl]-N-(1-methylpiperidin-4-yl)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 174663762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).