N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine

C19H21N3 — CID 70680079

IUPACN-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine
SMILESCCc1[nH]c(Cc2ccccc2)cc1Nc1cccc(C)n1
InChIInChI=1S/C19H21N3/c1-3-17-18(22-19-11-7-8-14(2)20-19)13-16(21-17)12-15-9-5-4-6-10-15/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyQNAJDVKIRAABKT-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.61
Rot. Bonds5

About N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine

N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine (PubChem CID 70680079) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine.

Molecular Properties

Compound NameN-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine
PubChem CID70680079
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine
SMILESCCc1[nH]c(Cc2ccccc2)cc1Nc1cccc(C)n1
InChIInChI=1S/C19H21N3/c1-3-17-18(22-19-11-7-8-14(2)20-19)13-16(21-17)12-15-9-5-4-6-10-15/h4-11,13,21H,3,12H2,1-2H3,(H,20,22)
InChIKeyQNAJDVKIRAABKT-UHFFFAOYSA-N
XLogP4.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine?
The IUPAC name of N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine (CID 70680079) is N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine.
What is the SMILES notation for N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine?
The canonical SMILES for N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine is CCc1[nH]c(Cc2ccccc2)cc1Nc1cccc(C)n1.
What is the InChIKey of N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine?
The InChIKey is QNAJDVKIRAABKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-3-17-18(22-19-11-7-8-14(2)20-19)13-16(21-17)12-15-9-5-4-6-10-15/h4-11,13,21H,3,12H2,1-2H3,(H,20,22).
What are the key properties of N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine?
N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine has a molecular weight of 291.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-2-ethyl-1H-pyrrol-3-yl)-6-methylpyridin-2-amine is sourced from PubChem (CID 70680079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).