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

C14H14ClN5 — CID 79821467

IUPAC2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(CNc3cccc(Cl)c3)nc2n1
InChIInChI=1S/C14H14ClN5/c1-16-12-6-5-11-14(19-12)20-13(18-11)8-17-10-4-2-3-9(15)7-10/h2-7,17H,8H2,1H3,(H2,16,18,19,20)
InChIKeyXQUZOTWIYKWFLR-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.27
Rot. Bonds4

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

2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79821467) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79821467
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
SMILESCNc1ccc2[nH]c(CNc3cccc(Cl)c3)nc2n1
InChIInChI=1S/C14H14ClN5/c1-16-12-6-5-11-14(19-12)20-13(18-11)8-17-10-4-2-3-9(15)7-10/h2-7,17H,8H2,1H3,(H2,16,18,19,20)
InChIKeyXQUZOTWIYKWFLR-UHFFFAOYSA-N
XLogP3.27
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine (CID 79821467) is 2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is CNc1ccc2[nH]c(CNc3cccc(Cl)c3)nc2n1.
What is the InChIKey of 2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is XQUZOTWIYKWFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c1-16-12-6-5-11-14(19-12)20-13(18-11)8-17-10-4-2-3-9(15)7-10/h2-7,17H,8H2,1H3,(H2,16,18,19,20).
What are the key properties of 2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine?
2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 287.75 g/mol, XLogP of 3.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloroanilino)methyl]-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79821467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).