N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide

C19H25N3O — CID 142633127

IUPACN-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide
SMILESCCC(=O)N[C@H](c1c(C)cccc1C)[C@H](N)Cc1cccnc1
InChIInChI=1S/C19H25N3O/c1-4-17(23)22-19(18-13(2)7-5-8-14(18)3)16(20)11-15-9-6-10-21-12-15/h5-10,12,16,19H,4,11,20H2,1-3H3,(H,22,23)/t16-,19+/m1/s1
InChIKeyBCXIZDIBXUCUHW-APWZRJJASA-N
MW311.43 g/mol
LogP2.84
Rot. Bonds6

About N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide

N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide (PubChem CID 142633127) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide
PubChem CID142633127
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC NameN-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide
SMILESCCC(=O)N[C@H](c1c(C)cccc1C)[C@H](N)Cc1cccnc1
InChIInChI=1S/C19H25N3O/c1-4-17(23)22-19(18-13(2)7-5-8-14(18)3)16(20)11-15-9-6-10-21-12-15/h5-10,12,16,19H,4,11,20H2,1-3H3,(H,22,23)/t16-,19+/m1/s1
InChIKeyBCXIZDIBXUCUHW-APWZRJJASA-N
XLogP2.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-{4-[4-(pyridin-4-yl)phenyl]phenyl}ethyl]amino}pentanamide
CID 23648309
Phenatine
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N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
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2-phenyl-N-(pyridin-4-yl)butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide?
The IUPAC name of N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide (CID 142633127) is N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide.
What is the SMILES notation for N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide?
The canonical SMILES for N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide is CCC(=O)N[C@H](c1c(C)cccc1C)[C@H](N)Cc1cccnc1.
What is the InChIKey of N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide?
The InChIKey is BCXIZDIBXUCUHW-APWZRJJASA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-17(23)22-19(18-13(2)7-5-8-14(18)3)16(20)11-15-9-6-10-21-12-15/h5-10,12,16,19H,4,11,20H2,1-3H3,(H,22,23)/t16-,19+/m1/s1.
What are the key properties of N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide?
N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide has a molecular weight of 311.43 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-amino-1-(2,6-dimethylphenyl)-3-pyridin-3-ylpropyl]propanamide is sourced from PubChem (CID 142633127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).