2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

C16H19N5 — CID 79817329

IUPAC2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(CCC(N)c3ccccc3)nc2n1
InChIInChI=1S/C16H19N5/c1-18-14-10-8-13-16(20-14)21-15(19-13)9-7-12(17)11-5-3-2-4-6-11/h2-6,8,10,12H,7,9,17H2,1H3,(H2,18,19,20,21)
InChIKeyPQDLGJDKEMXTSF-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.63
Rot. Bonds5

About 2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine

2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79817329) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79817329
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(CCC(N)c3ccccc3)nc2n1
InChIInChI=1S/C16H19N5/c1-18-14-10-8-13-16(20-14)21-15(19-13)9-7-12(17)11-5-3-2-4-6-11/h2-6,8,10,12H,7,9,17H2,1H3,(H2,18,19,20,21)
InChIKeyPQDLGJDKEMXTSF-UHFFFAOYSA-N
XLogP2.63
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79817329) is 2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(CCC(N)c3ccccc3)nc2n1.
What is the InChIKey of 2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is PQDLGJDKEMXTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-18-14-10-8-13-16(20-14)21-15(19-13)9-7-12(17)11-5-3-2-4-6-11/h2-6,8,10,12H,7,9,17H2,1H3,(H2,18,19,20,21).
What are the key properties of 2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 281.36 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-phenylpropyl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79817329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).