1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol

C20H21ClN4O — CID 135368696

IUPAC1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol
SMILESCC1(C)CC(O)CCN1c1cc(-c2ccncc2Cl)nc2cnccc12
InChIInChI=1S/C20H21ClN4O/c1-20(2)10-13(26)5-8-25(20)19-9-17(14-3-6-22-11-16(14)21)24-18-12-23-7-4-15(18)19/h3-4,6-7,9,11-13,26H,5,8,10H2,1-2H3
InChIKeyLWGDBNBMMDOYAJ-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.08
Rot. Bonds2

About 1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol

1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol (PubChem CID 135368696) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol
PubChem CID135368696
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol
SMILESCC1(C)CC(O)CCN1c1cc(-c2ccncc2Cl)nc2cnccc12
InChIInChI=1S/C20H21ClN4O/c1-20(2)10-13(26)5-8-25(20)19-9-17(14-3-6-22-11-16(14)21)24-18-12-23-7-4-15(18)19/h3-4,6-7,9,11-13,26H,5,8,10H2,1-2H3
InChIKeyLWGDBNBMMDOYAJ-UHFFFAOYSA-N
XLogP4.08
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol with MolForge

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Related Compounds

1,3-Bis[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 156473
US11458138, Example 291
CID 135368056
US11458138, Example 260
CID 135368322
US11458138, Example 262
CID 135368501
US11458138, Example 263
CID 135368502
US11458138, Example 286
CID 135368718
US11458138, Example 254
CID 135390653
US11458138, Example 285
CID 137350568
US11458138, Example 299
CID 137350581
1-[[1-(7-Chloroquinolin-4-yl)triazol-4-yl]methyl]piperidin-4-ol
CID 76321570
2-[4-[2-[[6-[3-(5-Chloro-2,4-difluorophenyl)-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-1-yl]propan-1-ol
CID 153609377
2-[4-[2-[[6-[6-(5-Chloro-2,4-difluorophenyl)-2,3-dihydropyridin-5-yl]-1,5-naphthyridin-3-yl]amino]ethyl]piperazin-1-yl]propan-1-ol
CID 154933427

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol?
The IUPAC name of 1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol (CID 135368696) is 1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol?
The canonical SMILES for 1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol is CC1(C)CC(O)CCN1c1cc(-c2ccncc2Cl)nc2cnccc12.
What is the InChIKey of 1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol?
The InChIKey is LWGDBNBMMDOYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-20(2)10-13(26)5-8-25(20)19-9-17(14-3-6-22-11-16(14)21)24-18-12-23-7-4-15(18)19/h3-4,6-7,9,11-13,26H,5,8,10H2,1-2H3.
What are the key properties of 1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol?
1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol has a molecular weight of 368.87 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-yl]-2,2-dimethylpiperidin-4-ol is sourced from PubChem (CID 135368696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).