2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C33H33N3O2 — CID 150838311

IUPAC2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCCCN(Cc1cccnc1)C(=O)c1ccccc1-c1ccccc1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C33H33N3O2/c1-2-21-36(23-24-11-10-20-34-22-24)33(38)30-18-8-6-16-28(30)27-15-5-7-17-29(27)32(37)35-31-19-9-13-25-12-3-4-14-26(25)31/h3-8,10-12,14-18,20,22,31H,2,9,13,19,21,23H2,1H3,(H,35,37)
InChIKeyKNLKJRHZLMEVRO-UHFFFAOYSA-N
MW503.65 g/mol
LogP6.61
Rot. Bonds8

About 2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (PubChem CID 150838311) has the molecular formula C33H33N3O2 and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.

Molecular Properties

Compound Name2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
PubChem CID150838311
Molecular FormulaC33H33N3O2
Molecular Weight503.65 g/mol
Exact Mass503.26
IUPAC Name2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
SMILESCCCN(Cc1cccnc1)C(=O)c1ccccc1-c1ccccc1C(=O)NC1CCCc2ccccc21
InChIInChI=1S/C33H33N3O2/c1-2-21-36(23-24-11-10-20-34-22-24)33(38)30-18-8-6-16-28(30)27-15-5-7-17-29(27)32(37)35-31-19-9-13-25-12-3-4-14-26(25)31/h3-8,10-12,14-18,20,22,31H,2,9,13,19,21,23H2,1H3,(H,35,37)
InChIKeyKNLKJRHZLMEVRO-UHFFFAOYSA-N
XLogP6.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.65
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[2-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]benzoyl]-(2-pyridin-3-ylethyl)amino]propanoic acid
CID 69430132
2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
CID 89323235
2-ethylsulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 8777527
2-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072951
N-methyl-N-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134793387
3-[butylcarbamoyl(propyl)amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 42698686
N-methyl-2-pyridin-3-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 96575672
N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 60894294
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-pyridin-3-ylacetamide
CID 116649861
3-methyl-1-propyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 131898012
3-[[2-[2-[benzyl(2-hydroxyethyl)carbamoyl]phenyl]benzoyl]-(2-pyridin-3-ylethyl)amino]propanoic acid
CID 69432761
N-[(1R)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]-2-pyridin-3-ylacetamide
CID 126768985

Frequently Asked Questions

What is the IUPAC name of 2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The IUPAC name of 2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide (CID 150838311) is 2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide.
What is the SMILES notation for 2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The canonical SMILES for 2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is CCCN(Cc1cccnc1)C(=O)c1ccccc1-c1ccccc1C(=O)NC1CCCc2ccccc21.
What is the InChIKey of 2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
The InChIKey is KNLKJRHZLMEVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N3O2/c1-2-21-36(23-24-11-10-20-34-22-24)33(38)30-18-8-6-16-28(30)27-15-5-7-17-29(27)32(37)35-31-19-9-13-25-12-3-4-14-26(25)31/h3-8,10-12,14-18,20,22,31H,2,9,13,19,21,23H2,1H3,(H,35,37).
What are the key properties of 2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide?
2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide has a molecular weight of 503.65 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[propyl(pyridin-3-ylmethyl)carbamoyl]phenyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide is sourced from PubChem (CID 150838311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).