2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide

C18H23N3O — CID 113009635

IUPAC2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NCC(C)C)nc2)cc1
InChIInChI=1S/C18H23N3O/c1-13(2)11-19-17-9-8-16(12-20-17)21-18(22)10-15-6-4-14(3)5-7-15/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYTHBWQVLQCISIY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.64
Rot. Bonds6

About 2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide

2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide (PubChem CID 113009635) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
PubChem CID113009635
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
SMILESCc1ccc(CC(=O)Nc2ccc(NCC(C)C)nc2)cc1
InChIInChI=1S/C18H23N3O/c1-13(2)11-19-17-9-8-16(12-20-17)21-18(22)10-15-6-4-14(3)5-7-15/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyYTHBWQVLQCISIY-UHFFFAOYSA-N
XLogP3.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009609
2-(4-methylphenyl)-N-[6-(propylamino)-3-pyridinyl]acetamide
CID 113009090
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-2-phenylacetamide
CID 82022490
2-(2-fluorophenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009631
2-(4-methylphenyl)-N-[6-[(3-methylphenyl)methylamino]-3-pyridinyl]acetamide
CID 113011699
2-methyl-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]propanamide
CID 113011746
4-amino-N-[6-(2-methylpropylamino)-3-pyridinyl]butanamide
CID 39179065
N-[6-[2-(4-methoxyphenyl)ethylamino]-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113013483
2-(2-methylphenyl)-N-[5-(2-methylpropylamino)-2-pyridinyl]acetamide
CID 113024145
N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]butanamide
CID 113011745
N-[6-(4-cyanoanilino)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113022901
2-(2-methoxyphenoxy)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide
CID 113009626

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide (CID 113009635) is 2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide is Cc1ccc(CC(=O)Nc2ccc(NCC(C)C)nc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide?
The InChIKey is YTHBWQVLQCISIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13(2)11-19-17-9-8-16(12-20-17)21-18(22)10-15-6-4-14(3)5-7-15/h4-9,12-13H,10-11H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of 2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide?
2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide has a molecular weight of 297.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[6-(2-methylpropylamino)-3-pyridinyl]acetamide is sourced from PubChem (CID 113009635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).