N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

C21H22FN3O3 — CID 71105710

IUPACN-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O3/c22-15-7-5-14(6-8-15)18(19(23)26)25-20(27)17-10-9-16(13-3-4-13)21(24-17)28-11-12-1-2-12/h5-10,12-13,18H,1-4,11H2,(H2,23,26)(H,25,27)/t18-/m0/s1
InChIKeyXSVNNGAAABIATC-SFHVURJKSA-N
MW383.42 g/mol
LogP2.84
Rot. Bonds8

About N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide

N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (PubChem CID 71105710) has the molecular formula C21H22FN3O3 and a molecular weight of 383.42 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
PubChem CID71105710
Molecular FormulaC21H22FN3O3
Molecular Weight383.42 g/mol
Exact Mass383.16
IUPAC NameN-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide
SMILESNC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1
InChIInChI=1S/C21H22FN3O3/c22-15-7-5-14(6-8-15)18(19(23)26)25-20(27)17-10-9-16(13-3-4-13)21(24-17)28-11-12-1-2-12/h5-10,12-13,18H,1-4,11H2,(H2,23,26)(H,25,27)/t18-/m0/s1
InChIKeyXSVNNGAAABIATC-SFHVURJKSA-N
XLogP2.84
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide with MolForge

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Related Compounds

Dibucaine
CID 3025
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6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
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N-[2-(dimethylamino)ethyl]-6-[4-(4-fluorophenoxy)phenyl]-4-methoxypyridine-2-carboxamide
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5-cyclopentyl-6-(cyclopropylmethoxy)-N-[1-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-2-methylpropan-2-yl]pyridine-2-carboxamide
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CID 342141
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(S)-5-Cyclopropyl-6-(cyclopropylmethoxy)-N-(3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)picolinamide
CID 71087381
N-[3-(2-amino-2-oxoethyl)oxolan-3-yl]-5-cyclopropyl-6-(4-fluorophenoxy)pyridine-2-carboxamide
CID 118474092
N-[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]-6-fluoropyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide (CID 71105710) is N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is NC(=O)[C@@H](NC(=O)c1ccc(C2CC2)c(OCC2CC2)n1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
The InChIKey is XSVNNGAAABIATC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H22FN3O3/c22-15-7-5-14(6-8-15)18(19(23)26)25-20(27)17-10-9-16(13-3-4-13)21(24-17)28-11-12-1-2-12/h5-10,12-13,18H,1-4,11H2,(H2,23,26)(H,25,27)/t18-/m0/s1.
What are the key properties of N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide?
N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide has a molecular weight of 383.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]-5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 71105710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).