N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide

C21H25N3O2 — CID 108510725

IUPACN-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
SMILESCCC(NC(=O)C(=O)NCc1ccccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25N3O2/c1-2-19(17-11-10-15-7-3-4-8-16(15)13-17)24-21(26)20(25)23-14-18-9-5-6-12-22-18/h5-6,9-13,19H,2-4,7-8,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyBBSMQWOCSYPWJP-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.84
Rot. Bonds5

About N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide

N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide (PubChem CID 108510725) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide.

Molecular Properties

Compound NameN-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
PubChem CID108510725
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
SMILESCCC(NC(=O)C(=O)NCc1ccccn1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H25N3O2/c1-2-19(17-11-10-15-7-3-4-8-16(15)13-17)24-21(26)20(25)23-14-18-9-5-6-12-22-18/h5-6,9-13,19H,2-4,7-8,14H2,1H3,(H,23,25)(H,24,26)
InChIKeyBBSMQWOCSYPWJP-UHFFFAOYSA-N
XLogP2.84
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510829
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]pyrazine-2-carboxamide
CID 108796805
N-[1-(1-adamantyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108509001
N'-(1-phenylethyl)-N-(pyridin-2-ylmethyl)oxamide
CID 3136532
2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]acetamide
CID 108505562
N-(2-ethyl-6-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510687
N-[2-(4-sulfamoylphenyl)ethyl]-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510830
1-pyrazin-2-yl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 108893816
N-(3,4-diethoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510735
N'-benzyl-N'-phenyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide
CID 108510807

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The IUPAC name of N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide (CID 108510725) is N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide.
What is the SMILES notation for N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The canonical SMILES for N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide is CCC(NC(=O)C(=O)NCc1ccccn1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
The InChIKey is BBSMQWOCSYPWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-19(17-11-10-15-7-3-4-8-16(15)13-17)24-21(26)20(25)23-14-18-9-5-6-12-22-18/h5-6,9-13,19H,2-4,7-8,14H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide?
N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide has a molecular weight of 351.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-2-ylmethyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]oxamide is sourced from PubChem (CID 108510725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).