N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide

C18H26N4O3 — CID 51097080

IUPACN-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)C(=O)NCCC(=O)NCc1cccnc1
InChIInChI=1S/C18H26N4O3/c1-13(22-18(25)15-6-2-3-7-15)17(24)20-10-8-16(23)21-12-14-5-4-9-19-11-14/h4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyJQJMBLKNTOIXGJ-UHFFFAOYSA-N
MW346.43 g/mol
LogP0.90
Rot. Bonds8

About N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide

N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide (PubChem CID 51097080) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide
PubChem CID51097080
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide
SMILESCC(NC(=O)C1CCCC1)C(=O)NCCC(=O)NCc1cccnc1
InChIInChI=1S/C18H26N4O3/c1-13(22-18(25)15-6-2-3-7-15)17(24)20-10-8-16(23)21-12-14-5-4-9-19-11-14/h4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyJQJMBLKNTOIXGJ-UHFFFAOYSA-N
XLogP0.90
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide with MolForge

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Related Compounds

N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-[2-(pyridin-3-ylmethylcarbamoylamino)ethyl]cyclopentanecarboxamide
CID 60612463
3-(cyclopentylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 109013619
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]piperidine-3-carboxamide
CID 41024865
(2S)-2-amino-3,3-dimethyl-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]butanamide
CID 119860208
2-amino-N-[3-oxo-3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 119860192
4-[[(4-methoxyphenyl)sulfonylamino]methyl]-N-[(2R)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]cyclohexane-1-carboxamide
CID 124649118
4-methyl-N-[3-methyl-1-oxo-1-(pyridin-3-ylmethylamino)pentan-2-yl]cyclohexane-1-carboxamide
CID 3239858
N-[1-oxo-3-phenyl-1-(pyridin-3-ylmethylamino)propan-2-yl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 78149656
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
(2S)-2-[[2-(4-fluorophenyl)acetyl]amino]-N-(pyridin-3-ylmethyl)propanamide
CID 110347875

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide (CID 51097080) is N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide is CC(NC(=O)C1CCCC1)C(=O)NCCC(=O)NCc1cccnc1.
What is the InChIKey of N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide?
The InChIKey is JQJMBLKNTOIXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13(22-18(25)15-6-2-3-7-15)17(24)20-10-8-16(23)21-12-14-5-4-9-19-11-14/h4-5,9,11,13,15H,2-3,6-8,10,12H2,1H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide?
N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide has a molecular weight of 346.43 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[[3-oxo-3-(pyridin-3-ylmethylamino)propyl]amino]propan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 51097080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).