N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide

C19H22N2O2 — CID 52789544

IUPACN-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N[C@H]1CCC(C)(C)c2ccccc21
InChIInChI=1S/C19H22N2O2/c1-19(2)11-10-16(13-7-4-5-9-15(13)19)21-17(22)14-8-6-12-20-18(14)23-3/h4-9,12,16H,10-11H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyVFCBIXJWXARGJZ-INIZCTEOSA-N
MW310.40 g/mol
LogP3.63
Rot. Bonds3

About N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide

N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 52789544) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide
PubChem CID52789544
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)N[C@H]1CCC(C)(C)c2ccccc21
InChIInChI=1S/C19H22N2O2/c1-19(2)11-10-16(13-7-4-5-9-15(13)19)21-17(22)14-8-6-12-20-18(14)23-3/h4-9,12,16H,10-11H2,1-3H3,(H,21,22)/t16-/m0/s1
InChIKeyVFCBIXJWXARGJZ-INIZCTEOSA-N
XLogP3.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide (CID 52789544) is N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)N[C@H]1CCC(C)(C)c2ccccc21.
What is the InChIKey of N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is VFCBIXJWXARGJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-19(2)11-10-16(13-7-4-5-9-15(13)19)21-17(22)14-8-6-12-20-18(14)23-3/h4-9,12,16H,10-11H2,1-3H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide?
N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 52789544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).