8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile

C20H23N3O2 — CID 90233211

IUPAC8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile
SMILESCC(C)CC(N)COc1cc2c(cc1C#N)-c1cnccc1C(C)O2
InChIInChI=1S/C20H23N3O2/c1-12(2)6-15(22)11-24-19-8-20-17(7-14(19)9-21)18-10-23-5-4-16(18)13(3)25-20/h4-5,7-8,10,12-13,15H,6,11,22H2,1-3H3
InChIKeyKWULTZYYTJZFMN-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.83
Rot. Bonds5

About 8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile

8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile (PubChem CID 90233211) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile.

Molecular Properties

Compound Name8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile
PubChem CID90233211
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile
SMILESCC(C)CC(N)COc1cc2c(cc1C#N)-c1cnccc1C(C)O2
InChIInChI=1S/C20H23N3O2/c1-12(2)6-15(22)11-24-19-8-20-17(7-14(19)9-21)18-10-23-5-4-16(18)13(3)25-20/h4-5,7-8,10,12-13,15H,6,11,22H2,1-3H3
InChIKeyKWULTZYYTJZFMN-UHFFFAOYSA-N
XLogP3.83
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(9-iodo-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-amine
CID 71726889
8-[(2S)-2-amino-4-methylpentoxy]-5H-chromeno[3,4-c]pyridine-9-carbonitrile;tert-butyl N-[(2S)-1-[(9-cyano-5H-chromeno[3,4-c]pyridin-8-yl)oxy]-4-methylpentan-2-yl]carbamate
CID 157242930
2-[(2S)-2-amino-4-methylpentoxy]-5-(2-methyl-4-pyridinyl)benzonitrile
CID 118420229
(2S)-4-methyl-1-[(9-methyl-6H-isochromeno[3,4-c]pyridin-8-yl)oxy]pentan-2-amine
CID 134520684
(2R)-2-amino-4-methyl-N-[(5R)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide;(2R)-2-amino-4-methyl-N-[(5S)-5-methyl-5H-chromeno[3,4-c]pyridin-8-yl]pentanamide
CID 157233301
2-amino-4-methyl-N-(5-methyl-5H-chromeno[3,4-c]pyridin-8-yl)pentanamide
CID 90357036
(2S)-4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
CID 71726646
4-methyl-1-spiro[chromeno[3,4-c]pyridine-5,3'-oxetane]-8-yloxypentan-2-amine
CID 78160429
4-amino-2-(2-methylpropoxy)benzonitrile
CID 122504415
8-[(2S)-2-amino-4-methylpentoxy]-5-methylbenzo[c][1,7]naphthyridin-6-one
CID 134520695
8-[(2S)-2-amino-4-methylpentoxy]-5H-benzo[c][1,7]naphthyridin-6-one
CID 134520680
4-methyl-2-(2-methylpropoxy)benzonitrile
CID 62302468

Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile?
The IUPAC name of 8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile (CID 90233211) is 8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile.
What is the SMILES notation for 8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile?
The canonical SMILES for 8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile is CC(C)CC(N)COc1cc2c(cc1C#N)-c1cnccc1C(C)O2.
What is the InChIKey of 8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile?
The InChIKey is KWULTZYYTJZFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-12(2)6-15(22)11-24-19-8-20-17(7-14(19)9-21)18-10-23-5-4-16(18)13(3)25-20/h4-5,7-8,10,12-13,15H,6,11,22H2,1-3H3.
What are the key properties of 8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile?
8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile has a molecular weight of 337.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-4-methylpentoxy)-5-methyl-5H-chromeno[4,3-c]pyridine-9-carbonitrile is sourced from PubChem (CID 90233211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).