methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate

C19H25N3O2 — CID 113036278

IUPACmethyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2c(C(C)C)cccc2C(C)C)cn1
InChIInChI=1S/C19H25N3O2/c1-12(2)15-7-6-8-16(13(3)4)18(15)21-14-9-10-17(20-11-14)22-19(23)24-5/h6-13,21H,1-5H3,(H,20,22,23)
InChIKeyKJLWJEFAPLGURJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.25
Rot. Bonds5

About methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate

methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate (PubChem CID 113036278) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
PubChem CID113036278
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Namemethyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2c(C(C)C)cccc2C(C)C)cn1
InChIInChI=1S/C19H25N3O2/c1-12(2)15-7-6-8-16(13(3)4)18(15)21-14-9-10-17(20-11-14)22-19(23)24-5/h6-13,21H,1-5H3,(H,20,22,23)
InChIKeyKJLWJEFAPLGURJ-UHFFFAOYSA-N
XLogP5.25
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
CID 113021705
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032871
methyl N-[5-(3-acetamidoanilino)-2-pyridinyl]carbamate
CID 113035161
methyl N-[5-(2-methylanilino)-2-pyridinyl]carbamate
CID 113031352
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
CID 113021698
methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate
CID 113047064
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
CID 113021701
methyl N-[5-(2-bromoanilino)-2-pyridinyl]carbamate
CID 113035990
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186401

Frequently Asked Questions

What is the IUPAC name of methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate?
The IUPAC name of methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate (CID 113036278) is methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate?
The canonical SMILES for methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2c(C(C)C)cccc2C(C)C)cn1.
What is the InChIKey of methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate?
The InChIKey is KJLWJEFAPLGURJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)15-7-6-8-16(13(3)4)18(15)21-14-9-10-17(20-11-14)22-19(23)24-5/h6-13,21H,1-5H3,(H,20,22,23).
What are the key properties of methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate?
methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate has a molecular weight of 327.43 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate is sourced from PubChem (CID 113036278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).