1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one

C14H20N4O2 — CID 104641244

IUPAC1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one
SMILESCCCNc1ccc(C(=O)N2CCNC(=O)CC2)nc1
InChIInChI=1S/C14H20N4O2/c1-2-6-15-11-3-4-12(17-10-11)14(20)18-8-5-13(19)16-7-9-18/h3-4,10,15H,2,5-9H2,1H3,(H,16,19)
InChIKeyXNIJZKCOGXWLDU-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.87
Rot. Bonds4

About 1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one

1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one (PubChem CID 104641244) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one
PubChem CID104641244
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one
SMILESCCCNc1ccc(C(=O)N2CCNC(=O)CC2)nc1
InChIInChI=1S/C14H20N4O2/c1-2-6-15-11-3-4-12(17-10-11)14(20)18-8-5-13(19)16-7-9-18/h3-4,10,15H,2,5-9H2,1H3,(H,16,19)
InChIKeyXNIJZKCOGXWLDU-UHFFFAOYSA-N
XLogP0.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one?
The IUPAC name of 1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one (CID 104641244) is 1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one.
What is the SMILES notation for 1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one?
The canonical SMILES for 1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one is CCCNc1ccc(C(=O)N2CCNC(=O)CC2)nc1.
What is the InChIKey of 1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one?
The InChIKey is XNIJZKCOGXWLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-2-6-15-11-3-4-12(17-10-11)14(20)18-8-5-13(19)16-7-9-18/h3-4,10,15H,2,5-9H2,1H3,(H,16,19).
What are the key properties of 1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one?
1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one has a molecular weight of 276.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(propylamino)pyridine-2-carbonyl]-1,4-diazepan-5-one is sourced from PubChem (CID 104641244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).