[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate

C19H24ClN3O3 — CID 118420360

IUPAC[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccnc(OC(N)=O)c2)cc1Cl
InChIInChI=1S/C19H24ClN3O3/c1-12(2)10-19(3,22)11-25-16-5-4-13(8-15(16)20)14-6-7-23-17(9-14)26-18(21)24/h4-9,12H,10-11,22H2,1-3H3,(H2,21,24)
InChIKeyFZGACBOTKVLVSN-UHFFFAOYSA-N
MW377.87 g/mol
LogP4.00
Rot. Bonds7

About [4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate

[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate (PubChem CID 118420360) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is [4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate.

Molecular Properties

Compound Name[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate
PubChem CID118420360
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate
SMILESCC(C)CC(C)(N)COc1ccc(-c2ccnc(OC(N)=O)c2)cc1Cl
InChIInChI=1S/C19H24ClN3O3/c1-12(2)10-19(3,22)11-25-16-5-4-13(8-15(16)20)14-6-7-23-17(9-14)26-18(21)24/h4-9,12H,10-11,22H2,1-3H3,(H2,21,24)
InChIKeyFZGACBOTKVLVSN-UHFFFAOYSA-N
XLogP4.00
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-fluorophenyl]-2-pyridinyl] carbamate
CID 175072590
[4-[5-(2-amino-2,4-dimethylpentoxy)-6-(difluoromethyl)-2-pyridinyl]-2-pyridinyl] carbamate
CID 135282378
1-(2-chloro-4-pyridazin-4-ylphenoxy)-2,4-dimethylpentan-2-amine
CID 150312529
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-1,3-benzothiazol-7-yl]-2-pyridinyl] carbamate
CID 175153293
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-chlorophenyl]pyrimidin-2-yl]-methylcarbamic acid
CID 137350692
[4-[2-[(2S)-2-amino-2,4-dimethylpentoxy]pyrimidin-5-yl]-2-pyridinyl] N-methylcarbamate
CID 175073493
N-[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 135284503
tert-butyl N-[5-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]pyridazin-3-yl]-N-methoxycarbonylcarbamate
CID 175068737
1-[2-chloro-4-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)phenoxy]-2,4-dimethylpentan-2-amine
CID 137459412
[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-(trifluoromethyl)phenyl]pyrimidin-2-yl] carbamate
CID 175068700
methyl N-[4-[4-[(2S)-2-amino-2,4-dimethylpentoxy]-3-chlorophenyl]pyrimidin-2-yl]carbamate;methyl N-[4-[3-chloro-4-[(2S)-2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentoxy]phenyl]pyrimidin-2-yl]carbamate
CID 160961778
2,4-dimethyl-1-(2-methyl-4-pyridin-4-ylphenoxy)pentan-2-amine
CID 151535069

Frequently Asked Questions

What is the IUPAC name of [4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate?
The IUPAC name of [4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate (CID 118420360) is [4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate.
What is the SMILES notation for [4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate?
The canonical SMILES for [4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate is CC(C)CC(C)(N)COc1ccc(-c2ccnc(OC(N)=O)c2)cc1Cl.
What is the InChIKey of [4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate?
The InChIKey is FZGACBOTKVLVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3/c1-12(2)10-19(3,22)11-25-16-5-4-13(8-15(16)20)14-6-7-23-17(9-14)26-18(21)24/h4-9,12H,10-11,22H2,1-3H3,(H2,21,24).
What are the key properties of [4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate?
[4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate has a molecular weight of 377.87 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(2-amino-2,4-dimethylpentoxy)-3-chlorophenyl]-2-pyridinyl] carbamate is sourced from PubChem (CID 118420360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).