6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

C20H28N6O2 — CID 56758064

IUPAC6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1ccc(N2CCNC(=O)CC2)nc1
InChIInChI=1S/C20H28N6O2/c1-15(2)19-22-9-13-26(19)10-3-7-23-20(28)16-4-5-17(24-14-16)25-11-6-18(27)21-8-12-25/h4-5,9,13-15H,3,6-8,10-12H2,1-2H3,(H,21,27)(H,23,28)
InChIKeyDGEPHNLDBZTPGD-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.55
Rot. Bonds7

About 6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide

6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (PubChem CID 56758064) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
PubChem CID56758064
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
SMILESCC(C)c1nccn1CCCNC(=O)c1ccc(N2CCNC(=O)CC2)nc1
InChIInChI=1S/C20H28N6O2/c1-15(2)19-22-9-13-26(19)10-3-7-23-20(28)16-4-5-17(24-14-16)25-11-6-18(27)21-8-12-25/h4-5,9,13-15H,3,6-8,10-12H2,1-2H3,(H,21,27)(H,23,28)
InChIKeyDGEPHNLDBZTPGD-UHFFFAOYSA-N
XLogP1.55
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

6-piperidin-1-yl-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56739026
6-(3-methylpiperazin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56755506
6-(4,4-dimethylpiperidin-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56749613
6-(4-methyl-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 42518469
6-[(4S)-4-methylazepan-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95197886
6-[(2R)-2-methylpyrrolidin-1-yl]-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 95200014
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-6-(1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 56868319
6-(2,5-dimethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56754487
6-(3-ethylphenyl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide
CID 56758963
N-[[(3R)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(5-oxo-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 95190641
N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-6-(5-oxo-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 56739938
N-[3-(2-propan-2-ylimidazol-1-yl)propyl]-4-(pyrrol-1-ylmethyl)benzamide
CID 131936000

Frequently Asked Questions

What is the IUPAC name of 6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide (CID 56758064) is 6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is CC(C)c1nccn1CCCNC(=O)c1ccc(N2CCNC(=O)CC2)nc1.
What is the InChIKey of 6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
The InChIKey is DGEPHNLDBZTPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-15(2)19-22-9-13-26(19)10-3-7-23-20(28)16-4-5-17(24-14-16)25-11-6-18(27)21-8-12-25/h4-5,9,13-15H,3,6-8,10-12H2,1-2H3,(H,21,27)(H,23,28).
What are the key properties of 6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide?
6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-oxo-1,4-diazepan-1-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 56758064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).