N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide

C19H20N4O — CID 99831684

IUPACN-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1
InChIInChI=1S/C19H20N4O/c1-23(2)16-8-10-21-17(11-16)18(24)22-19(13-20)9-7-14-5-3-4-6-15(14)12-19/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyFKUOIADHMCGAIO-IBGZPJMESA-N
MW320.40 g/mol
LogP2.33
Rot. Bonds3

About N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide

N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide (PubChem CID 99831684) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide
PubChem CID99831684
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1
InChIInChI=1S/C19H20N4O/c1-23(2)16-8-10-21-17(11-16)18(24)22-19(13-20)9-7-14-5-3-4-6-15(14)12-19/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyFKUOIADHMCGAIO-IBGZPJMESA-N
XLogP2.33
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide (CID 99831684) is N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide is CN(C)c1ccnc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1.
What is the InChIKey of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide?
The InChIKey is FKUOIADHMCGAIO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20N4O/c1-23(2)16-8-10-21-17(11-16)18(24)22-19(13-20)9-7-14-5-3-4-6-15(14)12-19/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide?
N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3,4-dihydro-1H-naphthalen-2-yl]-4-(dimethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 99831684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).