8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide

C21H24N4O2 — CID 69017755

IUPAC8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1nc2c(NC3COCc4ccccc43)cc(C(=O)N(C)C)cn2c1C
InChIInChI=1S/C21H24N4O2/c1-13-14(2)25-10-16(21(26)24(3)4)9-18(20(25)22-13)23-19-12-27-11-15-7-5-6-8-17(15)19/h5-10,19,23H,11-12H2,1-4H3
InChIKeyMBGAKHKGOIYSCQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.34
Rot. Bonds3

About 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide

8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 69017755) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID69017755
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1nc2c(NC3COCc4ccccc43)cc(C(=O)N(C)C)cn2c1C
InChIInChI=1S/C21H24N4O2/c1-13-14(2)25-10-16(21(26)24(3)4)9-18(20(25)22-13)23-19-12-27-11-15-7-5-6-8-17(15)19/h5-10,19,23H,11-12H2,1-4H3
InChIKeyMBGAKHKGOIYSCQ-UHFFFAOYSA-N
XLogP3.34
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide (CID 69017755) is 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide is Cc1nc2c(NC3COCc4ccccc43)cc(C(=O)N(C)C)cn2c1C.
What is the InChIKey of 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is MBGAKHKGOIYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-14(2)25-10-16(21(26)24(3)4)9-18(20(25)22-13)23-19-12-27-11-15-7-5-6-8-17(15)19/h5-10,19,23H,11-12H2,1-4H3.
What are the key properties of 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide?
8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-1H-isochromen-4-ylamino)-N,N,2,3-tetramethylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 69017755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).