2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

C16H19N3O2 — CID 177192684

IUPAC2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC1(C)CC[C@H](c2cc(=O)c3c(C(N)=O)nccc3[nH]2)C1
InChIInChI=1S/C16H19N3O2/c1-16(2)5-3-9(8-16)11-7-12(20)13-10(19-11)4-6-18-14(13)15(17)21/h4,6-7,9H,3,5,8H2,1-2H3,(H2,17,21)(H,19,20)/t9-/m0/s1
InChIKeyBNYOOMTWWYNDDB-VIFPVBQESA-N
MW285.35 g/mol
LogP2.32
Rot. Bonds2

About 2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide

2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (PubChem CID 177192684) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.

Molecular Properties

Compound Name2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
PubChem CID177192684
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide
SMILESCC1(C)CC[C@H](c2cc(=O)c3c(C(N)=O)nccc3[nH]2)C1
InChIInChI=1S/C16H19N3O2/c1-16(2)5-3-9(8-16)11-7-12(20)13-10(19-11)4-6-18-14(13)15(17)21/h4,6-7,9H,3,5,8H2,1-2H3,(H2,17,21)(H,19,20)/t9-/m0/s1
InChIKeyBNYOOMTWWYNDDB-VIFPVBQESA-N
XLogP2.32
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The IUPAC name of 2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide (CID 177192684) is 2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide.
What is the SMILES notation for 2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The canonical SMILES for 2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is CC1(C)CC[C@H](c2cc(=O)c3c(C(N)=O)nccc3[nH]2)C1.
What is the InChIKey of 2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
The InChIKey is BNYOOMTWWYNDDB-VIFPVBQESA-N. The full InChI is InChI=1S/C16H19N3O2/c1-16(2)5-3-9(8-16)11-7-12(20)13-10(19-11)4-6-18-14(13)15(17)21/h4,6-7,9H,3,5,8H2,1-2H3,(H2,17,21)(H,19,20)/t9-/m0/s1.
What are the key properties of 2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide?
2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-3,3-dimethylcyclopentyl]-4-oxo-1H-1,6-naphthyridine-5-carboxamide is sourced from PubChem (CID 177192684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).