formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide

C19H24N4O5 — CID 154918994

IUPACformic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide
SMILESCC(C(=O)Nc1ccccn1)N1CCCN(C(=O)c2ccoc2)CC1.O=CO
InChIInChI=1S/C18H22N4O3.CH2O2/c1-14(17(23)20-16-5-2-3-7-19-16)21-8-4-9-22(11-10-21)18(24)15-6-12-25-13-15;2-1-3/h2-3,5-7,12-14H,4,8-11H2,1H3,(H,19,20,23);1H,(H,2,3)
InChIKeyFVIVTMMNOGKCQI-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.55
Rot. Bonds4

About formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide

formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide (PubChem CID 154918994) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Nameformic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide
PubChem CID154918994
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Nameformic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide
SMILESCC(C(=O)Nc1ccccn1)N1CCCN(C(=O)c2ccoc2)CC1.O=CO
InChIInChI=1S/C18H22N4O3.CH2O2/c1-14(17(23)20-16-5-2-3-7-19-16)21-8-4-9-22(11-10-21)18(24)15-6-12-25-13-15;2-1-3/h2-3,5-7,12-14H,4,8-11H2,1H3,(H,19,20,23);1H,(H,2,3)
InChIKeyFVIVTMMNOGKCQI-UHFFFAOYSA-N
XLogP1.55
TPSA115.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.55
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

N-tert-butyl-2-[4-(furan-3-carbonyl)piperazin-1-yl]propanamide
CID 42955051
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-N-prop-2-enylpropanamide
CID 34952537
(2S)-2-(6-oxa-9-azaspiro[4.5]decan-9-yl)-N-pyridin-2-ylpropanamide
CID 124755099
2-(4-morpholin-4-ylpiperidin-1-yl)-N-pyridin-2-ylpropanamide
CID 91830061
2-(4-propanoyl-1,4-diazepan-1-yl)-N-pyrimidin-2-ylpropanamide
CID 78904136
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-quinolin-5-ylpropanamide
CID 55565291
furan-3-yl-[4-(1-pyridin-3-ylethyl)piperazin-1-yl]methanone
CID 60548232
2-[4-[1-(furan-3-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 86890852
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(furan-3-carbonyl)piperazin-1-yl]propan-1-one
CID 86928371
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011

Frequently Asked Questions

What is the IUPAC name of formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide?
The IUPAC name of formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide (CID 154918994) is formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide.
What is the SMILES notation for formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide?
The canonical SMILES for formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide is CC(C(=O)Nc1ccccn1)N1CCCN(C(=O)c2ccoc2)CC1.O=CO.
What is the InChIKey of formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide?
The InChIKey is FVIVTMMNOGKCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3.CH2O2/c1-14(17(23)20-16-5-2-3-7-19-16)21-8-4-9-22(11-10-21)18(24)15-6-12-25-13-15;2-1-3/h2-3,5-7,12-14H,4,8-11H2,1H3,(H,19,20,23);1H,(H,2,3).
What are the key properties of formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide?
formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide has a molecular weight of 388.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-[4-(furan-3-carbonyl)-1,4-diazepan-1-yl]-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 154918994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).