2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide

C16H20ClN5O — CID 167879235

IUPAC2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(Nc2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C16H20ClN5O/c1-18-15(23)10-22-6-4-13(5-7-22)20-14-3-2-11-8-12(17)9-19-16(11)21-14/h2-3,8-9,13H,4-7,10H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyVENTVRXEMAFKTN-UHFFFAOYSA-N
MW333.82 g/mol
LogP1.91
Rot. Bonds4

About 2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide

2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide (PubChem CID 167879235) has the molecular formula C16H20ClN5O and a molecular weight of 333.82 g/mol. Its IUPAC name is 2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide
PubChem CID167879235
Molecular FormulaC16H20ClN5O
Molecular Weight333.82 g/mol
Exact Mass333.14
IUPAC Name2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC(Nc2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C16H20ClN5O/c1-18-15(23)10-22-6-4-13(5-7-22)20-14-3-2-11-8-12(17)9-19-16(11)21-14/h2-3,8-9,13H,4-7,10H2,1H3,(H,18,23)(H,19,20,21)
InChIKeyVENTVRXEMAFKTN-UHFFFAOYSA-N
XLogP1.91
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide (CID 167879235) is 2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide is CNC(=O)CN1CCC(Nc2ccc3cc(Cl)cnc3n2)CC1.
What is the InChIKey of 2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide?
The InChIKey is VENTVRXEMAFKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O/c1-18-15(23)10-22-6-4-13(5-7-22)20-14-3-2-11-8-12(17)9-19-16(11)21-14/h2-3,8-9,13H,4-7,10H2,1H3,(H,18,23)(H,19,20,21).
What are the key properties of 2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide?
2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide has a molecular weight of 333.82 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-chloro-1,8-naphthyridin-2-yl)amino]piperidin-1-yl]-N-methylacetamide is sourced from PubChem (CID 167879235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).