2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide

C18H17FN4O — CID 95321706

IUPAC2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCc2cc(F)ccc21)c1ccc(C#N)cn1
InChIInChI=1S/C18H17FN4O/c1-23(17-7-2-12(9-20)10-21-17)11-18(24)22-16-6-3-13-8-14(19)4-5-15(13)16/h2,4-5,7-8,10,16H,3,6,11H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyTTXZKZSYHXGYSH-MRXNPFEDSA-N
MW324.36 g/mol
LogP2.33
Rot. Bonds4

About 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide

2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 95321706) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID95321706
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESCN(CC(=O)N[C@@H]1CCc2cc(F)ccc21)c1ccc(C#N)cn1
InChIInChI=1S/C18H17FN4O/c1-23(17-7-2-12(9-20)10-21-17)11-18(24)22-16-6-3-13-8-14(19)4-5-15(13)16/h2,4-5,7-8,10,16H,3,6,11H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyTTXZKZSYHXGYSH-MRXNPFEDSA-N
XLogP2.33
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetamide
CID 47882691
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide
CID 102555556
N-[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 94646796
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-[methyl(7H-purin-6-yl)amino]acetamide
CID 51092559
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)acetamide
CID 51124349
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95766080
N-[2-[[(1S)-5-fluoro-2,3-dihydro-1H-inden-1-yl]amino]-2-oxoethyl]propanamide
CID 94212219
3-amino-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)butanamide
CID 119745353
4-acetyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]benzonitrile
CID 133456756
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 47359932
2-[(5-cyano-2-pyridinyl)-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 47359694
5-cyano-N-[(1R)-5-cyano-2,3-dihydro-1H-inden-1-yl]-3-hydroxypyridine-2-carboxamide
CID 138494572

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide (CID 95321706) is 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide is CN(CC(=O)N[C@@H]1CCc2cc(F)ccc21)c1ccc(C#N)cn1.
What is the InChIKey of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is TTXZKZSYHXGYSH-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-23(17-7-2-12(9-20)10-21-17)11-18(24)22-16-6-3-13-8-14(19)4-5-15(13)16/h2,4-5,7-8,10,16H,3,6,11H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide?
2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 324.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-2-pyridinyl)-methylamino]-N-[(1R)-5-fluoro-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 95321706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).