methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate

C18H22FN3O2 — CID 54591946

IUPACmethyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(NCC(C)(C)c2ccc(F)cc2)nc1
InChIInChI=1S/C18H22FN3O2/c1-18(2,14-5-7-15(19)8-6-14)12-22-16-9-4-13(10-20-16)11-21-17(23)24-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNIZYECAEOBADEI-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.47
Rot. Bonds6

About methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate

methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate (PubChem CID 54591946) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate
PubChem CID54591946
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Namemethyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate
SMILESCOC(=O)NCc1ccc(NCC(C)(C)c2ccc(F)cc2)nc1
InChIInChI=1S/C18H22FN3O2/c1-18(2,14-5-7-15(19)8-6-14)12-22-16-9-4-13(10-20-16)11-21-17(23)24-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyNIZYECAEOBADEI-UHFFFAOYSA-N
XLogP3.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
methyl 2-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142658
methyl 3-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-oxopropanoate
CID 115174546
tert-butyl N-[2-[(5-fluoro-2-pyridinyl)amino]ethyl]carbamate
CID 114518182
methyl N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]carbamate
CID 47300199
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]pyridazine-4-carboxamide
CID 174677203
5-fluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 62995202
6-[(4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956311
tert-butyl N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]carbamate
CID 67390801
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
N-[2-(4-fluorophenyl)-2-methylpropyl]-1-(hydroxymethyl)cyclopropane-1-carboxamide
CID 115182483

Frequently Asked Questions

What is the IUPAC name of methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate?
The IUPAC name of methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate (CID 54591946) is methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate?
The canonical SMILES for methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate is COC(=O)NCc1ccc(NCC(C)(C)c2ccc(F)cc2)nc1.
What is the InChIKey of methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate?
The InChIKey is NIZYECAEOBADEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-18(2,14-5-7-15(19)8-6-14)12-22-16-9-4-13(10-20-16)11-21-17(23)24-3/h4-10H,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate?
methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate has a molecular weight of 331.39 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[6-[[2-(4-fluorophenyl)-2-methylpropyl]amino]-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 54591946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).