N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

C22H24FN3O2 — CID 71105709

IUPACN-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESNC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1
InChIInChI=1S/C22H24FN3O2/c23-16-7-3-14(4-8-16)11-19-17(15-5-6-15)9-10-18(25-19)22(28)26-20(21(24)27)12-13-1-2-13/h3-4,7-10,13,15,20H,1-2,5-6,11-12H2,(H2,24,27)(H,26,28)/t20-/m0/s1
InChIKeyHBFCIHHOWFMFFT-FQEVSTJZSA-N
MW381.45 g/mol
LogP3.07
Rot. Bonds8

About N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide

N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 71105709) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID71105709
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC NameN-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESNC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1
InChIInChI=1S/C22H24FN3O2/c23-16-7-3-14(4-8-16)11-19-17(15-5-6-15)9-10-18(25-19)22(28)26-20(21(24)27)12-13-1-2-13/h3-4,7-10,13,15,20H,1-2,5-6,11-12H2,(H2,24,27)(H,26,28)/t20-/m0/s1
InChIKeyHBFCIHHOWFMFFT-FQEVSTJZSA-N
XLogP3.07
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide (CID 71105709) is N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is NC(=O)[C@H](CC1CC1)NC(=O)c1ccc(C2CC2)c(Cc2ccc(F)cc2)n1.
What is the InChIKey of N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is HBFCIHHOWFMFFT-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24FN3O2/c23-16-7-3-14(4-8-16)11-19-17(15-5-6-15)9-10-18(25-19)22(28)26-20(21(24)27)12-13-1-2-13/h3-4,7-10,13,15,20H,1-2,5-6,11-12H2,(H2,24,27)(H,26,28)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide?
N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 381.45 g/mol, XLogP of 3.07, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-cyclopropyl-1-oxopropan-2-yl]-5-cyclopropyl-6-[(4-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 71105709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).