6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine

C19H25N5 — CID 142160122

IUPAC6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
SMILESC=C(/C=C(/C)NCCC)Nc1cccc(NCc2cccnc2)n1
InChIInChI=1S/C19H25N5/c1-4-10-21-15(2)12-16(3)23-19-9-5-8-18(24-19)22-14-17-7-6-11-20-13-17/h5-9,11-13,21H,3-4,10,14H2,1-2H3,(H2,22,23,24)/b15-12-
InChIKeyAFLVYDAZUYHBFA-QINSGFPZSA-N
MW323.44 g/mol
LogP3.92
Rot. Bonds9

About 6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine

6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine (PubChem CID 142160122) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
PubChem CID142160122
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
SMILESC=C(/C=C(/C)NCCC)Nc1cccc(NCc2cccnc2)n1
InChIInChI=1S/C19H25N5/c1-4-10-21-15(2)12-16(3)23-19-9-5-8-18(24-19)22-14-17-7-6-11-20-13-17/h5-9,11-13,21H,3-4,10,14H2,1-2H3,(H2,22,23,24)/b15-12-
InChIKeyAFLVYDAZUYHBFA-QINSGFPZSA-N
XLogP3.92
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine (CID 142160122) is 6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine is C=C(/C=C(/C)NCCC)Nc1cccc(NCc2cccnc2)n1.
What is the InChIKey of 6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine?
The InChIKey is AFLVYDAZUYHBFA-QINSGFPZSA-N. The full InChI is InChI=1S/C19H25N5/c1-4-10-21-15(2)12-16(3)23-19-9-5-8-18(24-19)22-14-17-7-6-11-20-13-17/h5-9,11-13,21H,3-4,10,14H2,1-2H3,(H2,22,23,24)/b15-12-.
What are the key properties of 6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine?
6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine has a molecular weight of 323.44 g/mol, XLogP of 3.92, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(3Z)-4-(propylamino)penta-1,3-dien-2-yl]-2-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine is sourced from PubChem (CID 142160122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).