2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide

C19H25N3O — CID 70464234

IUPAC2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
SMILESCc1cc(C)cc(N(CCCc2cccnc2)C(=O)C(C)N)c1
InChIInChI=1S/C19H25N3O/c1-14-10-15(2)12-18(11-14)22(19(23)16(3)20)9-5-7-17-6-4-8-21-13-17/h4,6,8,10-13,16H,5,7,9,20H2,1-3H3
InChIKeyRULJUWSUUUKMSU-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.01
Rot. Bonds6

About 2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide

2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide (PubChem CID 70464234) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
PubChem CID70464234
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
SMILESCc1cc(C)cc(N(CCCc2cccnc2)C(=O)C(C)N)c1
InChIInChI=1S/C19H25N3O/c1-14-10-15(2)12-18(11-14)22(19(23)16(3)20)9-5-7-17-6-4-8-21-13-17/h4,6,8,10-13,16H,5,7,9,20H2,1-3H3
InChIKeyRULJUWSUUUKMSU-UHFFFAOYSA-N
XLogP3.01
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 10073011
2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide
CID 14851624
4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 14851656
3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide
CID 14851595
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(6-pyridin-3-ylhexyl)propanamide
CID 70466593
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28772199
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
7-methyl-1-pyridin-3-yloctan-4-one
CID 70095682

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
The IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide (CID 70464234) is 2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
The canonical SMILES for 2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide is Cc1cc(C)cc(N(CCCc2cccnc2)C(=O)C(C)N)c1.
What is the InChIKey of 2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
The InChIKey is RULJUWSUUUKMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-14-10-15(2)12-18(11-14)22(19(23)16(3)20)9-5-7-17-6-4-8-21-13-17/h4,6,8,10-13,16H,5,7,9,20H2,1-3H3.
What are the key properties of 2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide?
2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide has a molecular weight of 311.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide is sourced from PubChem (CID 70464234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).