3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide

C24H26N4O2 — CID 86971783

IUPAC3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide
SMILESCc1cccc(N(CCC(N)=O)C(=O)CN(Cc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C24H26N4O2/c1-19-7-5-11-22(15-19)28(14-12-23(25)29)24(30)18-27(21-9-3-2-4-10-21)17-20-8-6-13-26-16-20/h2-11,13,15-16H,12,14,17-18H2,1H3,(H2,25,29)
InChIKeySYQAWAJTPCNSSW-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.31
Rot. Bonds9

About 3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide

3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide (PubChem CID 86971783) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide
PubChem CID86971783
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide
SMILESCc1cccc(N(CCC(N)=O)C(=O)CN(Cc2cccnc2)c2ccccc2)c1
InChIInChI=1S/C24H26N4O2/c1-19-7-5-11-22(15-19)28(14-12-23(25)29)24(30)18-27(21-9-3-2-4-10-21)17-20-8-6-13-26-16-20/h2-11,13,15-16H,12,14,17-18H2,1H3,(H2,25,29)
InChIKeySYQAWAJTPCNSSW-UHFFFAOYSA-N
XLogP3.31
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethyl-3-(3-methylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110360355
N-(1-aminopropan-2-yl)-N-methyl-2-[N-(pyridin-3-ylmethyl)anilino]acetamide;dihydrochloride
CID 119584746
4-amino-N-(3-amino-3-oxopropyl)-N-(3-methylphenyl)butanamide;hydrochloride
CID 119311463
N-(3-amino-3-oxopropyl)-3-(2-aminophenyl)-N-(3-methylphenyl)propanamide;hydrochloride
CID 120610142
N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28772199
4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110618743
N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360388
3,5-dimethoxy-N-(3-methylphenyl)-N-(pyridin-3-ylmethyl)benzamide
CID 110360333
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide
CID 28768817
N-ethyl-3-(N-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109036586
2-[3-methyl-N-[(3-methylphenyl)methyl]anilino]acetic acid
CID 39368218

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide?
The IUPAC name of 3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide (CID 86971783) is 3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide.
What is the SMILES notation for 3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide?
The canonical SMILES for 3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide is Cc1cccc(N(CCC(N)=O)C(=O)CN(Cc2cccnc2)c2ccccc2)c1.
What is the InChIKey of 3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide?
The InChIKey is SYQAWAJTPCNSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-19-7-5-11-22(15-19)28(14-12-23(25)29)24(30)18-27(21-9-3-2-4-10-21)17-20-8-6-13-26-16-20/h2-11,13,15-16H,12,14,17-18H2,1H3,(H2,25,29).
What are the key properties of 3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide?
3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide has a molecular weight of 402.50 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide is sourced from PubChem (CID 86971783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).