3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate

C16H22N2O3 — CID 60554630

IUPAC3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate
SMILESO=C(CCCNC(=O)C1CC1)OCCCc1ccncc1
InChIInChI=1S/C16H22N2O3/c19-15(4-1-9-18-16(20)14-5-6-14)21-12-2-3-13-7-10-17-11-8-13/h7-8,10-11,14H,1-6,9,12H2,(H,18,20)
InChIKeyXCIYIAXYKORHSW-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.86
Rot. Bonds9

About 3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate

3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate (PubChem CID 60554630) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate.

Molecular Properties

Compound Name3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate
PubChem CID60554630
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate
SMILESO=C(CCCNC(=O)C1CC1)OCCCc1ccncc1
InChIInChI=1S/C16H22N2O3/c19-15(4-1-9-18-16(20)14-5-6-14)21-12-2-3-13-7-10-17-11-8-13/h7-8,10-11,14H,1-6,9,12H2,(H,18,20)
InChIKeyXCIYIAXYKORHSW-UHFFFAOYSA-N
XLogP1.86
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-pyridin-4-ylpropyl pentanoate
CID 78842155
3-pyridin-4-ylpropyl cyclopentanecarboxylate
CID 78842260
3-pyridin-4-ylpropyl 5-(4-fluorophenyl)-5-oxopentanoate
CID 87044345
methyl 3-(3-pyridin-4-ylpropoxy)propanoate
CID 29006354
ethyl 4-[(2-pyridin-4-ylacetyl)amino]butanoate
CID 64580309
ethyl 4-oxo-5-(3-pyridin-4-ylpropoxy)pentanoate
CID 103484981
(3S)-1-tert-butyl-5-oxo-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
CID 97110470
3-pyridin-4-ylpropyl 11-[[(2S)-2-(dodecanoylamino)-3-phenylpropanoyl]amino]undecanoate
CID 71069948
4-tert-butyl-4-methyl-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 130233505
bis(3-phenylpropyl) hexanedioate
CID 59854363
3-phenylpropyl 4-oxo-4-[3-[[4-oxo-4-(3-phenylpropoxy)butanoyl]amino]propylamino]butanoate
CID 4935321
N-[2-[ethyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687138

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate?
The IUPAC name of 3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate (CID 60554630) is 3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate.
What is the SMILES notation for 3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate?
The canonical SMILES for 3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate is O=C(CCCNC(=O)C1CC1)OCCCc1ccncc1.
What is the InChIKey of 3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate?
The InChIKey is XCIYIAXYKORHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(4-1-9-18-16(20)14-5-6-14)21-12-2-3-13-7-10-17-11-8-13/h7-8,10-11,14H,1-6,9,12H2,(H,18,20).
What are the key properties of 3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate?
3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate has a molecular weight of 290.36 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylpropyl 4-(cyclopropanecarbonylamino)butanoate is sourced from PubChem (CID 60554630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).