2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

C26H34N4O5 — CID 661955

IUPAC2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCN(CC)CCCn1c(C)cc2c(c1=O)C(c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2
InChIInChI=1S/C26H34N4O5/c1-7-29(8-2)10-9-11-30-16(3)12-22-24(26(30)31)23(18(15-27)25(28)35-22)17-13-20(33-5)21(34-6)14-19(17)32-4/h12-14,23H,7-11,28H2,1-6H3
InChIKeyLIHOOOXDQACDML-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.13
Rot. Bonds10

About 2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile

2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 661955) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID661955
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCN(CC)CCCn1c(C)cc2c(c1=O)C(c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2
InChIInChI=1S/C26H34N4O5/c1-7-29(8-2)10-9-11-30-16(3)12-22-24(26(30)31)23(18(15-27)25(28)35-22)17-13-20(33-5)21(34-6)14-19(17)32-4/h12-14,23H,7-11,28H2,1-6H3
InChIKeyLIHOOOXDQACDML-UHFFFAOYSA-N
XLogP3.13
TPSA111.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-7,7-dimethyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile
CID 2828670
2-Amino-7-methyl-6-[2-(4-morpholinyl)ethyl]-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-C]pyridine-3-carbonitrile
CID 662014
2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 662066
2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-6-(tetrahydrofuran-2-ylmethyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 666216
2-amino-7-methyl-6-[3-(4-morpholinyl)propyl]-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 666401
2-amino-6-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3295204
2-amino-4-(7-methoxybenzo[d][1,3]dioxol-5-yl)-7-methyl-5-oxo-6-phenethyl-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661991
2,7,7-Trimethyl-3-(morpholine-4-carbonyl)-4-(2,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 2938131
2-amino-6,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 16438688
2-amino-4-(2,3-dimethoxyphenyl)-7-methyl-5-oxo-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661443
2-Amino-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1-benzopyran-3-carbonitrile
CID 2839017
2-amino-7-methyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-5,6-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4275885

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 661955) is 2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1cc(OC)c(OC)cc1OC)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is LIHOOOXDQACDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-7-29(8-2)10-9-11-30-16(3)12-22-24(26(30)31)23(18(15-27)25(28)35-22)17-13-20(33-5)21(34-6)14-19(17)32-4/h12-14,23H,7-11,28H2,1-6H3.
What are the key properties of 2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 482.58 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-(2,4,5-trimethoxyphenyl)-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 661955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).