N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

C21H23N3O3 — CID 71087216

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESNC(=O)[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1
InChIInChI=1S/C21H23N3O3/c22-19(25)18(15-4-2-1-3-5-15)24-20(26)17-11-10-16(14-8-9-14)21(23-17)27-12-13-6-7-13/h1-5,10-11,13-14,18H,6-9,12H2,(H2,22,25)(H,24,26)/t18-/m1/s1
InChIKeyFLVXUOOZOMZARL-GOSISDBHSA-N
MW365.43 g/mol
LogP2.70
Rot. Bonds8

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 71087216) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID71087216
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESNC(=O)[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1
InChIInChI=1S/C21H23N3O3/c22-19(25)18(15-4-2-1-3-5-15)24-20(26)17-11-10-16(14-8-9-14)21(23-17)27-12-13-6-7-13/h1-5,10-11,13-14,18H,6-9,12H2,(H2,22,25)(H,24,26)/t18-/m1/s1
InChIKeyFLVXUOOZOMZARL-GOSISDBHSA-N
XLogP2.70
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 71087224
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 71105657
methyl (2S)-3-cyclopropyl-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]propanoate
CID 71087544
methyl (2S)-2-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-4-methylpentanoate
CID 71087876
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 71087382
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 78010149
(1R)-1-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]-2,2-dimethyl-N-(methylamino)propan-1-amine oxide
CID 163728943
5-cyclopropyl-6-(cyclopropylmethoxy)-N-[(2R)-1-hydroxy-2,3-dimethylbutan-2-yl]pyridine-2-carboxamide
CID 71105647
2-[3-[[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]amino]thietan-3-yl]acetic acid
CID 90202405
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-5-cyclopropyl-6-(cyclopropylmethoxy)pyrazine-2-carboxamide
CID 78098470
5-cyclopropyl-6-(cyclopropylmethoxy)-N-(3-ethyl-4-oxohexan-3-yl)pyridine-2-carboxamide
CID 148777129
N-[(R)-cyclopropen-1-yl-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
CID 134424121

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 71087216) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is NC(=O)[C@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is FLVXUOOZOMZARL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N3O3/c22-19(25)18(15-4-2-1-3-5-15)24-20(26)17-11-10-16(14-8-9-14)21(23-17)27-12-13-6-7-13/h1-5,10-11,13-14,18H,6-9,12H2,(H2,22,25)(H,24,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71087216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).