2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine

C14H13N5 — CID 22724070

IUPAC2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine
SMILESNc1cccnc1Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C14H13N5/c15-12-5-2-6-17-14(12)19-11-4-1-3-10(7-11)13-8-16-9-18-13/h1-9H,15H2,(H,16,18)(H,17,19)
InChIKeyMUPMFLVPFHPXIL-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.80
Rot. Bonds3

About 2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine

2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine (PubChem CID 22724070) has the molecular formula C14H13N5 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine
PubChem CID22724070
Molecular FormulaC14H13N5
Molecular Weight251.29 g/mol
Exact Mass251.12
IUPAC Name2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine
SMILESNc1cccnc1Nc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C14H13N5/c15-12-5-2-6-17-14(12)19-11-4-1-3-10(7-11)13-8-16-9-18-13/h1-9H,15H2,(H,16,18)(H,17,19)
InChIKeyMUPMFLVPFHPXIL-UHFFFAOYSA-N
XLogP2.80
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine (CID 22724070) is 2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine is Nc1cccnc1Nc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine?
The InChIKey is MUPMFLVPFHPXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5/c15-12-5-2-6-17-14(12)19-11-4-1-3-10(7-11)13-8-16-9-18-13/h1-9H,15H2,(H,16,18)(H,17,19).
What are the key properties of 2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine?
2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine has a molecular weight of 251.29 g/mol, XLogP of 2.80, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 22724070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).