2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C24H27N3O3 — CID 4666911

IUPAC2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CC1CCCO1)C(c1ccc(C(C)C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C24H27N3O3/c1-14(2)16-6-8-17(9-7-16)21-19(12-25)23(26)30-20-11-15(3)27(24(28)22(20)21)13-18-5-4-10-29-18/h6-9,11,14,18,21H,4-5,10,13,26H2,1-3H3
InChIKeySBNDMDZYCGAFQT-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.68
Rot. Bonds4

About 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 4666911) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID4666911
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCc1cc2c(c(=O)n1CC1CCCO1)C(c1ccc(C(C)C)cc1)C(C#N)=C(N)O2
InChIInChI=1S/C24H27N3O3/c1-14(2)16-6-8-17(9-7-16)21-19(12-25)23(26)30-20-11-15(3)27(24(28)22(20)21)13-18-5-4-10-29-18/h6-9,11,14,18,21H,4-5,10,13,26H2,1-3H3
InChIKeySBNDMDZYCGAFQT-UHFFFAOYSA-N
XLogP3.68
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 4666911) is 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is Cc1cc2c(c(=O)n1CC1CCCO1)C(c1ccc(C(C)C)cc1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is SBNDMDZYCGAFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-14(2)16-6-8-17(9-7-16)21-19(12-25)23(26)30-20-11-15(3)27(24(28)22(20)21)13-18-5-4-10-29-18/h6-9,11,14,18,21H,4-5,10,13,26H2,1-3H3.
What are the key properties of 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 405.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-5-oxo-6-(oxolan-2-ylmethyl)-4-(4-propan-2-ylphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 4666911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).