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

C23H27ClN4O2 — CID 662050

IUPAC2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCN(CC)CCCn1c(C)cc2c(c1=O)C(c1cccc(Cl)c1)C(C#N)=C(N)O2
InChIInChI=1S/C23H27ClN4O2/c1-4-27(5-2)10-7-11-28-15(3)12-19-21(23(28)29)20(18(14-25)22(26)30-19)16-8-6-9-17(24)13-16/h6,8-9,12-13,20H,4-5,7,10-11,26H2,1-3H3
InChIKeyFBKPWGLVLSABDX-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.76
Rot. Bonds7

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

2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (PubChem CID 662050) has the molecular formula C23H27ClN4O2 and a molecular weight of 426.95 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
PubChem CID662050
Molecular FormulaC23H27ClN4O2
Molecular Weight426.95 g/mol
Exact Mass426.18
IUPAC Name2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
SMILESCCN(CC)CCCn1c(C)cc2c(c1=O)C(c1cccc(Cl)c1)C(C#N)=C(N)O2
InChIInChI=1S/C23H27ClN4O2/c1-4-27(5-2)10-7-11-28-15(3)12-19-21(23(28)29)20(18(14-25)22(26)30-19)16-8-6-9-17(24)13-16/h6,8-9,12-13,20H,4-5,7,10-11,26H2,1-3H3
InChIKeyFBKPWGLVLSABDX-UHFFFAOYSA-N
XLogP3.76
TPSA84.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4-phenyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 661945
2-amino-4-(3-chlorophenyl)-7-methyl-6-(3-morpholin-4-ylpropyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4859584
2-amino-4-(3-chlorophenyl)-6-(furan-2-ylmethyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3889172
2-amino-4-(3-chlorophenyl)-6-(2-hydroxyethyl)-5-oxo-7-propyl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475609
2-amino-6-ethyl-4-(3-methoxyphenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4893538
(4R)-2-amino-4-(3-fluorophenyl)-7-methyl-6-[(4-methylphenyl)methyl]-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 2028999
2-amino-4-(3-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4896461
2-amino-4-(2-chlorophenyl)-6-[2-(dimethylamino)ethyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4671188
2-amino-6-[2-(dimethylamino)ethyl]-4-(4-fluorophenyl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 3773637
2-amino-4-(3-methoxyphenyl)-7-methyl-6-(2-methylpropyl)-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 4885778
2-amino-6-(2-hydroxyethyl)-7-methyl-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]pyridine-3-carbonitrile
CID 23475544
3-[(4S)-2-amino-3-cyano-7-methyl-5-oxo-6-(2-phenylethyl)-4H-pyrano[3,2-c]pyridin-4-yl]-N-hydroxybenzeneamine oxide
CID 163116543

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile (CID 662050) is 2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1cccc(Cl)c1)C(C#N)=C(N)O2.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
The InChIKey is FBKPWGLVLSABDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O2/c1-4-27(5-2)10-7-11-28-15(3)12-19-21(23(28)29)20(18(14-25)22(26)30-19)16-8-6-9-17(24)13-16/h6,8-9,12-13,20H,4-5,7,10-11,26H2,1-3H3.
What are the key properties of 2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile?
2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile has a molecular weight of 426.95 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-6-[3-(diethylamino)propyl]-7-methyl-5-oxo-4H-pyrano[3,2-c]pyridine-3-carbonitrile is sourced from PubChem (CID 662050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).