methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate

C19H25N3O2 — CID 113021705

IUPACmethyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2c(C(C)C)cccc2C(C)C)nc1
InChIInChI=1S/C19H25N3O2/c1-12(2)15-7-6-8-16(13(3)4)18(15)22-17-10-9-14(11-20-17)21-19(23)24-5/h6-13H,1-5H3,(H,20,22)(H,21,23)
InChIKeyJRLNWENGDQXTLP-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.25
Rot. Bonds5

About methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate

methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate (PubChem CID 113021705) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
PubChem CID113021705
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Namemethyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
SMILESCOC(=O)Nc1ccc(Nc2c(C(C)C)cccc2C(C)C)nc1
InChIInChI=1S/C19H25N3O2/c1-12(2)15-7-6-8-16(13(3)4)18(15)22-17-10-9-14(11-20-17)21-19(23)24-5/h6-13H,1-5H3,(H,20,22)(H,21,23)
InChIKeyJRLNWENGDQXTLP-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-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
CID 113036278
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
CID 113021698
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
CID 113021701
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
methyl N-[6-(3-acetamidoanilino)-3-pyridinyl]carbamate
CID 113020514
methyl N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]carbamate
CID 113019866
methyl N-[6-(2-methyl-6-propan-2-ylanilino)pyridazin-3-yl]carbamate
CID 113047064
1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea
CID 113018035
ethyl N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]carbamate
CID 113032879
methyl N-[6-(2-bromoanilino)-3-pyridinyl]carbamate
CID 113021397
6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153085
methyl N-[6-(3,4-dimethoxyanilino)-3-pyridinyl]carbamate
CID 113020119

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate?
The IUPAC name of methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate (CID 113021705) is methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate.
What is the SMILES notation for methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate?
The canonical SMILES for methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate is COC(=O)Nc1ccc(Nc2c(C(C)C)cccc2C(C)C)nc1.
What is the InChIKey of methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate?
The InChIKey is JRLNWENGDQXTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(2)15-7-6-8-16(13(3)4)18(15)22-17-10-9-14(11-20-17)21-19(23)24-5/h6-13H,1-5H3,(H,20,22)(H,21,23).
What are the key properties of methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate?
methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-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-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate is sourced from PubChem (CID 113021705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).