propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate

C19H22N2O3 — CID 46643370

IUPACpropan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate
SMILESCc1cccc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)n1
InChIInChI=1S/C19H22N2O3/c1-13(2)24-18(22)12-17(15-9-5-4-6-10-15)21-19(23)16-11-7-8-14(3)20-16/h4-11,13,17H,12H2,1-3H3,(H,21,23)
InChIKeyYLBKFKOBYIHQJY-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.20
Rot. Bonds6

About propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate

propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate (PubChem CID 46643370) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate
PubChem CID46643370
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Namepropan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate
SMILESCc1cccc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)n1
InChIInChI=1S/C19H22N2O3/c1-13(2)24-18(22)12-17(15-9-5-4-6-10-15)21-19(23)16-11-7-8-14(3)20-16/h4-11,13,17H,12H2,1-3H3,(H,21,23)
InChIKeyYLBKFKOBYIHQJY-UHFFFAOYSA-N
XLogP3.20
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Delanzomib
CID 24800541
2-N-methyl-4-N-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1S)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 131997002
6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide
CID 132167406
4-N-cyclopropyl-2-N-methyl-6-[(1S)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185545
6-benzyl-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186011
Methyl N-(quinoline-2-carbonyl)-L-phenylalaninate
CID 9439964
(4S)5-[4-(Ethoxycarbonyl)piperazin-1-yl]-5-oxo-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoicAcid
CID 24830601
6-benzyl-2-N-methyl-4-N-(oxetan-3-yl)pyridine-2,4-dicarboxamide
CID 131988817
6-benzyl-4-N-cyclopropyl-2-N-methylpyridine-2,4-dicarboxamide
CID 132167418
4-N-cyclopropyl-2-N-methyl-6-[(1R)-1-phenylethyl]pyridine-2,4-dicarboxamide
CID 132185548
6-(2-hydroxy-1-phenylethyl)-2-N-methyl-4-N-[(1S,2S)-2-methylcyclopropyl]pyridine-2,4-dicarboxamide
CID 132186038
6-benzyl-2-N-methyl-4-N-(oxan-4-yl)pyridine-2,4-dicarboxamide
CID 138557106

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate (CID 46643370) is propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate is Cc1cccc(C(=O)NC(CC(=O)OC(C)C)c2ccccc2)n1.
What is the InChIKey of propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is YLBKFKOBYIHQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13(2)24-18(22)12-17(15-9-5-4-6-10-15)21-19(23)16-11-7-8-14(3)20-16/h4-11,13,17H,12H2,1-3H3,(H,21,23).
What are the key properties of propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate?
propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 326.40 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(6-methylpyridine-2-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 46643370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).