2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide

C20H23N3O — CID 154748560

IUPAC2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide
SMILESO=C(CN(C1CC1)C1CCCc2ccccc21)Nc1ccncc1
InChIInChI=1S/C20H23N3O/c24-20(22-16-10-12-21-13-11-16)14-23(17-8-9-17)19-7-3-5-15-4-1-2-6-18(15)19/h1-2,4,6,10-13,17,19H,3,5,7-9,14H2,(H,21,22,24)
InChIKeyBBDKKWQAGUNBFD-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.56
Rot. Bonds5

About 2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide

2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide (PubChem CID 154748560) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide
PubChem CID154748560
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide
SMILESO=C(CN(C1CC1)C1CCCc2ccccc21)Nc1ccncc1
InChIInChI=1S/C20H23N3O/c24-20(22-16-10-12-21-13-11-16)14-23(17-8-9-17)19-7-3-5-15-4-1-2-6-18(15)19/h1-2,4,6,10-13,17,19H,3,5,7-9,14H2,(H,21,22,24)
InChIKeyBBDKKWQAGUNBFD-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9261093
2-[cyclopropyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 52511480
N-(1,3-benzodioxol-5-yl)-3-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propanamide
CID 56525663
N-(5-bromo-2-pyridinyl)-2-[cyclopropyl-[(1R)-2,3-dihydro-1H-inden-1-yl]amino]acetamide
CID 95164536
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(4-nitrophenyl)acetamide
CID 9261119
3-(4-bromophenyl)-1-(pyridin-4-ylmethyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 42697000
N,N-dimethyl-4-[[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetyl]amino]benzamide
CID 9260477
3-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-phenylpropanamide
CID 46683151
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348216
N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
CID 9348212
1-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-3-pyridin-4-ylurea
CID 95769864
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-(phenylcarbamoyl)acetamide
CID 8680982

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide (CID 154748560) is 2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide is O=C(CN(C1CC1)C1CCCc2ccccc21)Nc1ccncc1.
What is the InChIKey of 2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide?
The InChIKey is BBDKKWQAGUNBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20(22-16-10-12-21-13-11-16)14-23(17-8-9-17)19-7-3-5-15-4-1-2-6-18(15)19/h1-2,4,6,10-13,17,19H,3,5,7-9,14H2,(H,21,22,24).
What are the key properties of 2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide?
2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide has a molecular weight of 321.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 154748560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).