methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate

C19H24FN3O3 — CID 118429651

IUPACmethyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(F)c2)ccn1
InChIInChI=1S/C19H24FN3O3/c1-12(2)8-15(21)11-26-17-5-4-13(9-16(17)20)14-6-7-22-18(10-14)23-19(24)25-3/h4-7,9-10,12,15H,8,11,21H2,1-3H3,(H,22,23,24)/t15-/m0/s1
InChIKeyBBHRJKOAIBIWDU-HNNXBMFYSA-N
MW361.42 g/mol
LogP3.82
Rot. Bonds7

About methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate

methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate (PubChem CID 118429651) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate
PubChem CID118429651
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Namemethyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(F)c2)ccn1
InChIInChI=1S/C19H24FN3O3/c1-12(2)8-15(21)11-26-17-5-4-13(9-16(17)20)14-6-7-22-18(10-14)23-19(24)25-3/h4-7,9-10,12,15H,8,11,21H2,1-3H3,(H,22,23,24)/t15-/m0/s1
InChIKeyBBHRJKOAIBIWDU-HNNXBMFYSA-N
XLogP3.82
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate (CID 118429651) is methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate is COC(=O)Nc1cc(-c2ccc(OC[C@@H](N)CC(C)C)c(F)c2)ccn1.
What is the InChIKey of methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate?
The InChIKey is BBHRJKOAIBIWDU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-12(2)8-15(21)11-26-17-5-4-13(9-16(17)20)14-6-7-22-18(10-14)23-19(24)25-3/h4-7,9-10,12,15H,8,11,21H2,1-3H3,(H,22,23,24)/t15-/m0/s1.
What are the key properties of methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate?
methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate has a molecular weight of 361.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[4-[(2S)-2-amino-4-methylpentoxy]-3-fluorophenyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 118429651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).