6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide

C18H17ClN4O2 — CID 177140466

IUPAC6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide
SMILESCc1ncc2c(n1)OCCC2NC(=O)c1cc2ccc(Cl)cc2n1C
InChIInChI=1S/C18H17ClN4O2/c1-10-20-9-13-14(5-6-25-18(13)21-10)22-17(24)16-7-11-3-4-12(19)8-15(11)23(16)2/h3-4,7-9,14H,5-6H2,1-2H3,(H,22,24)
InChIKeyVJJNCYLADOVJPX-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.18
Rot. Bonds2

About 6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide

6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide (PubChem CID 177140466) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide.

Molecular Properties

Compound Name6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide
PubChem CID177140466
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide
SMILESCc1ncc2c(n1)OCCC2NC(=O)c1cc2ccc(Cl)cc2n1C
InChIInChI=1S/C18H17ClN4O2/c1-10-20-9-13-14(5-6-25-18(13)21-10)22-17(24)16-7-11-3-4-12(19)8-15(11)23(16)2/h3-4,7-9,14H,5-6H2,1-2H3,(H,22,24)
InChIKeyVJJNCYLADOVJPX-UHFFFAOYSA-N
XLogP3.18
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide?
The IUPAC name of 6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide (CID 177140466) is 6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide.
What is the SMILES notation for 6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide?
The canonical SMILES for 6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide is Cc1ncc2c(n1)OCCC2NC(=O)c1cc2ccc(Cl)cc2n1C.
What is the InChIKey of 6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide?
The InChIKey is VJJNCYLADOVJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-10-20-9-13-14(5-6-25-18(13)21-10)22-17(24)16-7-11-3-4-12(19)8-15(11)23(16)2/h3-4,7-9,14H,5-6H2,1-2H3,(H,22,24).
What are the key properties of 6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide?
6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-N-(2-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-5-yl)indole-2-carboxamide is sourced from PubChem (CID 177140466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).