N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide

C22H23N5O2 — CID 23821882

IUPACN-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cccc(C)c1Nc1c(-c2ccco2)nc2cc(C(=O)NCCN)ccn12
InChIInChI=1S/C22H23N5O2/c1-14-5-3-6-15(2)19(14)26-21-20(17-7-4-12-29-17)25-18-13-16(8-11-27(18)21)22(28)24-10-9-23/h3-8,11-13,26H,9-10,23H2,1-2H3,(H,24,28)
InChIKeyXXVRQSVWRWQWJB-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.64
Rot. Bonds6

About N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide

N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide (PubChem CID 23821882) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
PubChem CID23821882
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide
SMILESCc1cccc(C)c1Nc1c(-c2ccco2)nc2cc(C(=O)NCCN)ccn12
InChIInChI=1S/C22H23N5O2/c1-14-5-3-6-15(2)19(14)26-21-20(17-7-4-12-29-17)25-18-13-16(8-11-27(18)21)22(28)24-10-9-23/h3-8,11-13,26H,9-10,23H2,1-2H3,(H,24,28)
InChIKeyXXVRQSVWRWQWJB-UHFFFAOYSA-N
XLogP3.64
TPSA97.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_C(6)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide (CID 23821882) is N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide is Cc1cccc(C)c1Nc1c(-c2ccco2)nc2cc(C(=O)NCCN)ccn12.
What is the InChIKey of N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
The InChIKey is XXVRQSVWRWQWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-5-3-6-15(2)19(14)26-21-20(17-7-4-12-29-17)25-18-13-16(8-11-27(18)21)22(28)24-10-9-23/h3-8,11-13,26H,9-10,23H2,1-2H3,(H,24,28).
What are the key properties of N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide?
N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.64, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(2,6-dimethylanilino)-2-(furan-2-yl)imidazo[1,2-a]pyridine-7-carboxamide is sourced from PubChem (CID 23821882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).