N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide

C22H20N4O3 — CID 53321929

IUPACN-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)/C=C/NC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1
InChIInChI=1S/C22H20N4O3/c1-26(2)11-10-24-22(28)21-20(17-8-9-23-13-19(17)29-21)25-15-6-7-16-14(12-15)4-3-5-18(16)27/h3-13,25,27H,1-2H3,(H,24,28)/b11-10+
InChIKeyODAKYRNOKBCGQV-ZHACJKMWSA-N
MW388.43 g/mol
LogP4.19
Rot. Bonds5

About N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide

N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide (PubChem CID 53321929) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide
PubChem CID53321929
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide
SMILESCN(C)/C=C/NC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1
InChIInChI=1S/C22H20N4O3/c1-26(2)11-10-24-22(28)21-20(17-8-9-23-13-19(17)29-21)25-15-6-7-16-14(12-15)4-3-5-18(16)27/h3-13,25,27H,1-2H3,(H,24,28)/b11-10+
InChIKeyODAKYRNOKBCGQV-ZHACJKMWSA-N
XLogP4.19
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide (CID 53321929) is N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide is CN(C)/C=C/NC(=O)c1oc2cnccc2c1Nc1ccc2c(O)cccc2c1.
What is the InChIKey of N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is ODAKYRNOKBCGQV-ZHACJKMWSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-26(2)11-10-24-22(28)21-20(17-8-9-23-13-19(17)29-21)25-15-6-7-16-14(12-15)4-3-5-18(16)27/h3-13,25,27H,1-2H3,(H,24,28)/b11-10+.
What are the key properties of N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide?
N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(dimethylamino)ethenyl]-3-[(5-hydroxynaphthalen-2-yl)amino]furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 53321929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).