(2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid

C23H31N3O7 — CID 10073011

IUPAC(2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid
SMILESCc1cccc(C)c1N(CCCc1cccnc1)C(=O)[C@@H](C)N.O=C(O)[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C19H25N3O.C4H6O6/c1-14-7-4-8-15(2)18(14)22(19(23)16(3)20)12-6-10-17-9-5-11-21-13-17;5-1(3(7)8)2(6)4(9)10/h4-5,7-9,11,13,16H,6,10,12,20H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2+/m1./s1
InChIKeyUKFWRCBTXJZERY-GVKDRIAJSA-N
MW461.52 g/mol
LogP0.89
Rot. Bonds9

About (2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid

(2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid (PubChem CID 10073011) has the molecular formula C23H31N3O7 and a molecular weight of 461.52 g/mol. Its IUPAC name is (2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound Name(2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid
PubChem CID10073011
Molecular FormulaC23H31N3O7
Molecular Weight461.52 g/mol
Exact Mass461.22
IUPAC Name(2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid
SMILESCc1cccc(C)c1N(CCCc1cccnc1)C(=O)[C@@H](C)N.O=C(O)[C@@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C19H25N3O.C4H6O6/c1-14-7-4-8-15(2)18(14)22(19(23)16(3)20)12-6-10-17-9-5-11-21-13-17;5-1(3(7)8)2(6)4(9)10/h4-5,7-9,11,13,16H,6,10,12,20H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2+/m1./s1
InChIKeyUKFWRCBTXJZERY-GVKDRIAJSA-N
XLogP0.89
TPSA174.28 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 50.89
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide
CID 14851624
2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 70464234
3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide
CID 14851595
2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-4-ylethyl)propanamide
CID 14851626
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(6-pyridin-3-ylhexyl)propanamide
CID 70466593
4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide
CID 14851656
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
CID 64584041
2-[(2-methylphenyl)methyl]-4-pyridin-3-ylbutanoic acid
CID 79418739
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid?
The IUPAC name of (2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid (CID 10073011) is (2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid.
What is the SMILES notation for (2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid?
The canonical SMILES for (2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid is Cc1cccc(C)c1N(CCCc1cccnc1)C(=O)[C@@H](C)N.O=C(O)[C@@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid?
The InChIKey is UKFWRCBTXJZERY-GVKDRIAJSA-N. The full InChI is InChI=1S/C19H25N3O.C4H6O6/c1-14-7-4-8-15(2)18(14)22(19(23)16(3)20)12-6-10-17-9-5-11-21-13-17;5-1(3(7)8)2(6)4(9)10/h4-5,7-9,11,13,16H,6,10,12,20H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t16-;1-,2+/m1./s1.
What are the key properties of (2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid?
(2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid has a molecular weight of 461.52 g/mol, XLogP of 0.89, 9 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 10073011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).