5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide

C14H17N5O — CID 175838980

IUPAC5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide
SMILESC[C@H]1CN(c2ccc(C(N)=O)c3nnccc23)CCN1
InChIInChI=1S/C14H17N5O/c1-9-8-19(7-6-16-9)12-3-2-11(14(15)20)13-10(12)4-5-17-18-13/h2-5,9,16H,6-8H2,1H3,(H2,15,20)/t9-/m0/s1
InChIKeyFGOREIFWFBSNSO-VIFPVBQESA-N
MW271.32 g/mol
LogP0.53
Rot. Bonds2

About 5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide

5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide (PubChem CID 175838980) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide.

Molecular Properties

Compound Name5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide
PubChem CID175838980
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide
SMILESC[C@H]1CN(c2ccc(C(N)=O)c3nnccc23)CCN1
InChIInChI=1S/C14H17N5O/c1-9-8-19(7-6-16-9)12-3-2-11(14(15)20)13-10(12)4-5-17-18-13/h2-5,9,16H,6-8H2,1H3,(H2,15,20)/t9-/m0/s1
InChIKeyFGOREIFWFBSNSO-VIFPVBQESA-N
XLogP0.53
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide?
The IUPAC name of 5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide (CID 175838980) is 5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide.
What is the SMILES notation for 5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide?
The canonical SMILES for 5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide is C[C@H]1CN(c2ccc(C(N)=O)c3nnccc23)CCN1.
What is the InChIKey of 5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide?
The InChIKey is FGOREIFWFBSNSO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-8-19(7-6-16-9)12-3-2-11(14(15)20)13-10(12)4-5-17-18-13/h2-5,9,16H,6-8H2,1H3,(H2,15,20)/t9-/m0/s1.
What are the key properties of 5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide?
5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-methylpiperazin-1-yl]cinnoline-8-carboxamide is sourced from PubChem (CID 175838980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).