N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide

C17H18ClN3O3 — CID 94816376

IUPACN-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(N)=O)n1
InChIInChI=1S/C17H18ClN3O3/c1-2-24-14-9-8-12(18)15(21-14)17(23)20-13(16(19)22)10-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H2,19,22)(H,20,23)/t13-/m1/s1
InChIKeyPVLOKJGALQNXJW-CYBMUJFWSA-N
MW347.80 g/mol
LogP1.96
Rot. Bonds7

About N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide

N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide (PubChem CID 94816376) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide
PubChem CID94816376
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC NameN-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(N)=O)n1
InChIInChI=1S/C17H18ClN3O3/c1-2-24-14-9-8-12(18)15(21-14)17(23)20-13(16(19)22)10-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H2,19,22)(H,20,23)/t13-/m1/s1
InChIKeyPVLOKJGALQNXJW-CYBMUJFWSA-N
XLogP1.96
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-phenylpropanamide;ethane
CID 144643683
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CID 68727023
ethyl 2-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
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(2R)-2-[3-(2-chlorophenoxy)propanoylamino]-3-phenylpropanamide
CID 95158067
methyl 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 86280626
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 146128298
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131889440
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
CID 71036532
4-[4-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]phenoxy]benzamide
CID 56548245
(2S)-2-[(5-chloro-2-methylpyrimidin-4-yl)amino]-3-phenylpropanamide
CID 135099263
1-N,4-N-bis[1-amino-1-oxo-3-[4-(2-phenylethoxy)phenyl]propan-2-yl]benzene-1,4-dicarboxamide
CID 102065474
(2R)-2-[(3-chloro-4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30166041

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide?
The IUPAC name of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide (CID 94816376) is N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide?
The canonical SMILES for N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide is CCOc1ccc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(N)=O)n1.
What is the InChIKey of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide?
The InChIKey is PVLOKJGALQNXJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-2-24-14-9-8-12(18)15(21-14)17(23)20-13(16(19)22)10-11-6-4-3-5-7-11/h3-9,13H,2,10H2,1H3,(H2,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide?
N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-chloro-6-ethoxypyridine-2-carboxamide is sourced from PubChem (CID 94816376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).