N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide

C21H25N3O3 — CID 86981506

IUPACN-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C21H25N3O3/c1-15(24-21(26)17-7-3-2-4-8-17)20(25)23-14-16-11-12-22-19(13-16)27-18-9-5-6-10-18/h2-4,7-8,11-13,15,18H,5-6,9-10,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyMMTCWPVEPQEAKA-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.84
Rot. Bonds7

About N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide

N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide (PubChem CID 86981506) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
PubChem CID86981506
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)NCc1ccnc(OC2CCCC2)c1
InChIInChI=1S/C21H25N3O3/c1-15(24-21(26)17-7-3-2-4-8-17)20(25)23-14-16-11-12-22-19(13-16)27-18-9-5-6-10-18/h2-4,7-8,11-13,15,18H,5-6,9-10,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyMMTCWPVEPQEAKA-UHFFFAOYSA-N
XLogP2.84
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86919506
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-phenoxypropanamide
CID 86981489
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-2-hydroxy-2-phenylacetamide
CID 75393518
(2S)-2-acetamido-N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 95301519
4-[[(2-cyclopentyloxy-4-pyridinyl)methylcarbamoylamino]methyl]-N-methylbenzamide
CID 38348110
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-2-methoxybenzamide
CID 86981497
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]benzamide
CID 10107876
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55659212
N-[1-oxo-1-[(2-phenoxy-4-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 47057211
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-propoxybenzamide
CID 55842196
N-[(2-cyclohexyloxy-4-pyridinyl)methyl]-2-(methylamino)acetamide
CID 120704184
N-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-methylindole-3-carboxamide
CID 75403194

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide (CID 86981506) is N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)NCc1ccnc(OC2CCCC2)c1.
What is the InChIKey of N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
The InChIKey is MMTCWPVEPQEAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-15(24-21(26)17-7-3-2-4-8-17)20(25)23-14-16-11-12-22-19(13-16)27-18-9-5-6-10-18/h2-4,7-8,11-13,15,18H,5-6,9-10,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide?
N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-cyclopentyloxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 86981506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).