N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide

C16H23N3O2 — CID 42959318

IUPACN-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide
SMILESCC(NC(=O)CCNC(=O)C1CCCC1)c1ccncc1
InChIInChI=1S/C16H23N3O2/c1-12(13-6-9-17-10-7-13)19-15(20)8-11-18-16(21)14-4-2-3-5-14/h6-7,9-10,12,14H,2-5,8,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyVBWIOPYRYNKICO-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.96
Rot. Bonds6

About N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide

N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide (PubChem CID 42959318) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide
PubChem CID42959318
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide
SMILESCC(NC(=O)CCNC(=O)C1CCCC1)c1ccncc1
InChIInChI=1S/C16H23N3O2/c1-12(13-6-9-17-10-7-13)19-15(20)8-11-18-16(21)14-4-2-3-5-14/h6-7,9-10,12,14H,2-5,8,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyVBWIOPYRYNKICO-UHFFFAOYSA-N
XLogP1.96
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-pyridin-4-ylethylamino)ethyl]cyclopropanecarboxamide
CID 115621333
3-(ethylamino)-N-[(1R)-1-pyridin-4-ylethyl]propanamide
CID 81410608
2-cyclohexyl-N-[2-oxo-2-[[(1R)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 95282016
3-(methanesulfonamido)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 94149516
3-(1-pyridin-4-ylethylcarbamoylamino)propanoic acid
CID 61198838
2-methyl-N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]benzamide
CID 51231530
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
3-piperidin-4-yl-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 81409978
N-[2-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 9118452
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 43354069
N-[(1R)-1-pyridin-4-ylethyl]azetidine-3-carboxamide
CID 81409992
2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 64616162

Frequently Asked Questions

What is the IUPAC name of N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide (CID 42959318) is N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide is CC(NC(=O)CCNC(=O)C1CCCC1)c1ccncc1.
What is the InChIKey of N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide?
The InChIKey is VBWIOPYRYNKICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(13-6-9-17-10-7-13)19-15(20)8-11-18-16(21)14-4-2-3-5-14/h6-7,9-10,12,14H,2-5,8,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide?
N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-oxo-3-(1-pyridin-4-ylethylamino)propyl]cyclopentanecarboxamide is sourced from PubChem (CID 42959318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).