formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide

C17H24N4O5 — CID 154919221

IUPACformic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCCN(C(=O)C2CCOC2)CC1.O=CO
InChIInChI=1S/C16H22N4O3.CH2O2/c17-14(21)13-3-1-5-18-15(13)19-6-2-7-20(9-8-19)16(22)12-4-10-23-11-12;2-1-3/h1,3,5,12H,2,4,6-11H2,(H2,17,21);1H,(H,2,3)
InChIKeyLJZIIWYAQRMKPC-UHFFFAOYSA-N
MW364.40 g/mol
LogP-0.04
Rot. Bonds3

About formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide

formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide (PubChem CID 154919221) has the molecular formula C17H24N4O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Nameformic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
PubChem CID154919221
Molecular FormulaC17H24N4O5
Molecular Weight364.40 g/mol
Exact Mass364.17
IUPAC Nameformic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1N1CCCN(C(=O)C2CCOC2)CC1.O=CO
InChIInChI=1S/C16H22N4O3.CH2O2/c17-14(21)13-3-1-5-18-15(13)19-6-2-7-20(9-8-19)16(22)12-4-10-23-11-12;2-1-3/h1,3,5,12H,2,4,6-11H2,(H2,17,21);1H,(H,2,3)
InChIKeyLJZIIWYAQRMKPC-UHFFFAOYSA-N
XLogP-0.04
TPSA126.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

oxolan-3-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854828
formic acid;2-[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 154918951
4-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-2-carboxylic acid
CID 138385150
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 94283741
2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 119850197
2-[4-(3,5-difluorobenzoyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 166195430
2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]pyridine-3-carboxamide
CID 78845354
oxolan-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347425
2-[4-[[(2S)-1,4-dioxan-2-yl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 124750437
oxolan-3-yl-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-diazepan-1-yl]methanone
CID 138384199
4-(3-carbamoyl-2-pyridinyl)-N-(3-piperidin-1-ylpropyl)piperazine-1-carboxamide;formic acid
CID 154913462
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95587175

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The IUPAC name of formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide (CID 154919221) is formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The canonical SMILES for formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide is NC(=O)c1cccnc1N1CCCN(C(=O)C2CCOC2)CC1.O=CO.
What is the InChIKey of formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
The InChIKey is LJZIIWYAQRMKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3.CH2O2/c17-14(21)13-3-1-5-18-15(13)19-6-2-7-20(9-8-19)16(22)12-4-10-23-11-12;2-1-3/h1,3,5,12H,2,4,6-11H2,(H2,17,21);1H,(H,2,3).
What are the key properties of formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide?
formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide has a molecular weight of 364.40 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[4-(oxolane-3-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 154919221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).