8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide

C16H18F2N4O2 — CID 58495812

IUPAC8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(N3CCCC(COC(F)F)C3)c2n1
InChIInChI=1S/C16H18F2N4O2/c17-16(18)24-9-10-2-1-5-22(8-10)13-7-20-6-11-3-4-12(15(19)23)21-14(11)13/h3-4,6-7,10,16H,1-2,5,8-9H2,(H2,19,23)
InChIKeyZLBPDVDVXWEZNJ-UHFFFAOYSA-N
MW336.34 g/mol
LogP2.18
Rot. Bonds5

About 8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide

8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide (PubChem CID 58495812) has the molecular formula C16H18F2N4O2 and a molecular weight of 336.34 g/mol. Its IUPAC name is 8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide
PubChem CID58495812
Molecular FormulaC16H18F2N4O2
Molecular Weight336.34 g/mol
Exact Mass336.14
IUPAC Name8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide
SMILESNC(=O)c1ccc2cncc(N3CCCC(COC(F)F)C3)c2n1
InChIInChI=1S/C16H18F2N4O2/c17-16(18)24-9-10-2-1-5-22(8-10)13-7-20-6-11-3-4-12(15(19)23)21-14(11)13/h3-4,6-7,10,16H,1-2,5,8-9H2,(H2,19,23)
InChIKeyZLBPDVDVXWEZNJ-UHFFFAOYSA-N
XLogP2.18
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1,6-naphthyridine-2-carboxamide
CID 58495753
4-[3-[(2-methylpropanoylamino)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 133469712
N-[[3-[3-(methoxymethyl)piperidin-1-yl]-4-pyridinyl]methyl]propan-2-amine
CID 106589227
4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]pyridine-2-carboxamide
CID 63241227
4-[3-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carboxylic acid
CID 106589535
methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
4-[3-(methoxymethyl)-4-phenylpiperazin-1-yl]isoquinoline-6-carboxamide
CID 58495776
6-[(3S)-3-(3-fluoro-4-methoxybenzoyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95550702
4-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 81232474
6-[(3R)-3-(naphthalene-2-carbonyl)piperidin-1-yl]pyrazine-2-carboxamide
CID 95524992
4-pyrrolidin-1-ylisoquinoline-6-carboxamide
CID 58495819
6-[[(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpyrimidine-4-carboxamide
CID 125020264

Frequently Asked Questions

What is the IUPAC name of 8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide (CID 58495812) is 8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide is NC(=O)c1ccc2cncc(N3CCCC(COC(F)F)C3)c2n1.
What is the InChIKey of 8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is ZLBPDVDVXWEZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4O2/c17-16(18)24-9-10-2-1-5-22(8-10)13-7-20-6-11-3-4-12(15(19)23)21-14(11)13/h3-4,6-7,10,16H,1-2,5,8-9H2,(H2,19,23).
What are the key properties of 8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide?
8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 336.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(difluoromethoxymethyl)piperidin-1-yl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 58495812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).