N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide

C14H18N4O2 — CID 57275347

IUPACN-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide
SMILESCN(C)CCNC(=O)c1nnc2ccccc2c1CO
InChIInChI=1S/C14H18N4O2/c1-18(2)8-7-15-14(20)13-11(9-19)10-5-3-4-6-12(10)16-17-13/h3-6,19H,7-9H2,1-2H3,(H,15,20)
InChIKeyKNRPXEPODZNJDJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.41
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide

N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide (PubChem CID 57275347) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide
PubChem CID57275347
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide
SMILESCN(C)CCNC(=O)c1nnc2ccccc2c1CO
InChIInChI=1S/C14H18N4O2/c1-18(2)8-7-15-14(20)13-11(9-19)10-5-3-4-6-12(10)16-17-13/h3-6,19H,7-9H2,1-2H3,(H,15,20)
InChIKeyKNRPXEPODZNJDJ-UHFFFAOYSA-N
XLogP0.41
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide (CID 57275347) is N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide is CN(C)CCNC(=O)c1nnc2ccccc2c1CO.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide?
The InChIKey is KNRPXEPODZNJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18(2)8-7-15-14(20)13-11(9-19)10-5-3-4-6-12(10)16-17-13/h3-6,19H,7-9H2,1-2H3,(H,15,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide?
N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(hydroxymethyl)cinnoline-3-carboxamide is sourced from PubChem (CID 57275347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).