N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide

C15H17N3O — CID 63329529

IUPACN-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2cnccc2C)cc1
InChIInChI=1S/C15H17N3O/c1-11-7-8-16-10-15(11)17-9-13-3-5-14(6-4-13)18-12(2)19/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyLPPGVCBCLAUZAO-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.96
Rot. Bonds4

About N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide

N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide (PubChem CID 63329529) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide
PubChem CID63329529
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNc2cnccc2C)cc1
InChIInChI=1S/C15H17N3O/c1-11-7-8-16-10-15(11)17-9-13-3-5-14(6-4-13)18-12(2)19/h3-8,10,17H,9H2,1-2H3,(H,18,19)
InChIKeyLPPGVCBCLAUZAO-UHFFFAOYSA-N
XLogP2.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethylphenyl)methyl]-4-methylpyridin-3-amine
CID 63329527
N-[3-[(3,4-dimethylphenyl)methylamino]-4-methylphenyl]acetamide
CID 43789839
N-[4-[(pyridin-3-ylmethylamino)methyl]phenyl]acetamide
CID 27654042
N-[3-[(3-bromo-4-methylphenyl)methylamino]-4-methylphenyl]acetamide
CID 115876077
4-methyl-N-(quinoxalin-6-ylmethyl)pyridin-3-amine
CID 176561492
N-[4-[2-[(3-methyl-4-pyridinyl)carbamoylamino]ethyl]phenyl]acetamide
CID 75438227
1,3-bis(4-methyl-3-pyridinyl)urea
CID 86818735
N-[4-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749173
N-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetamide
CID 60914057
N-[3-[(3-bromo-4-hydroxyphenyl)methylamino]-4-methylphenyl]acetamide
CID 60961965
2-ethoxy-4-[[(4-methyl-3-pyridinyl)amino]methyl]phenol
CID 63329273
N-[4-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112893768

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide (CID 63329529) is N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNc2cnccc2C)cc1.
What is the InChIKey of N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide?
The InChIKey is LPPGVCBCLAUZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-7-8-16-10-15(11)17-9-13-3-5-14(6-4-13)18-12(2)19/h3-8,10,17H,9H2,1-2H3,(H,18,19).
What are the key properties of N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide?
N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-methyl-3-pyridinyl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 63329529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).