2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide

C24H29N5O2 — CID 134357105

IUPAC2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
SMILESC=C1CN(C2CC2)C(=O)CCCCN1CC(=O)Nc1ccc(-c2cc(C)ccn2)cn1
InChIInChI=1S/C24H29N5O2/c1-17-10-11-25-21(13-17)19-6-9-22(26-14-19)27-23(30)16-28-12-4-3-5-24(31)29(15-18(28)2)20-7-8-20/h6,9-11,13-14,20H,2-5,7-8,12,15-16H2,1H3,(H,26,27,30)
InChIKeyJTCYTTUSLOLTSW-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide

2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide (PubChem CID 134357105) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
PubChem CID134357105
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide
SMILESC=C1CN(C2CC2)C(=O)CCCCN1CC(=O)Nc1ccc(-c2cc(C)ccn2)cn1
InChIInChI=1S/C24H29N5O2/c1-17-10-11-25-21(13-17)19-6-9-22(26-14-19)27-23(30)16-28-12-4-3-5-24(31)29(15-18(28)2)20-7-8-20/h6,9-11,13-14,20H,2-5,7-8,12,15-16H2,1H3,(H,26,27,30)
InChIKeyJTCYTTUSLOLTSW-UHFFFAOYSA-N
XLogP3.38
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide (CID 134357105) is 2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide is C=C1CN(C2CC2)C(=O)CCCCN1CC(=O)Nc1ccc(-c2cc(C)ccn2)cn1.
What is the InChIKey of 2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide?
The InChIKey is JTCYTTUSLOLTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-17-10-11-25-21(13-17)19-6-9-22(26-14-19)27-23(30)16-28-12-4-3-5-24(31)29(15-18(28)2)20-7-8-20/h6,9-11,13-14,20H,2-5,7-8,12,15-16H2,1H3,(H,26,27,30).
What are the key properties of 2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide?
2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide has a molecular weight of 419.53 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-methylidene-5-oxo-1,4-diazonan-1-yl)-N-[5-(4-methyl-2-pyridinyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 134357105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).