2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile

C19H15N5O2 — CID 10066139

IUPAC2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)Cc1cccc(OCc3ccncc3)c1O2
InChIInChI=1S/C19H15N5O2/c20-9-14-16(21)13-8-12-2-1-3-15(17(12)26-19(13)24-18(14)22)25-10-11-4-6-23-7-5-11/h1-7H,8,10H2,(H4,21,22,24)
InChIKeyMIOGVQSKNZMFDF-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.79
Rot. Bonds3

About 2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile

2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile (PubChem CID 10066139) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
PubChem CID10066139
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1N)Cc1cccc(OCc3ccncc3)c1O2
InChIInChI=1S/C19H15N5O2/c20-9-14-16(21)13-8-12-2-1-3-15(17(12)26-19(13)24-18(14)22)25-10-11-4-6-23-7-5-11/h1-7H,8,10H2,(H4,21,22,24)
InChIKeyMIOGVQSKNZMFDF-UHFFFAOYSA-N
XLogP2.79
TPSA120.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

9-Methoxy-8-(2-methoxyethoxy)-2-pyridin-3-ylbenzo[c]-2,7-naphthyridin-4-amine
CID 25060408
Benzo[c][2,7]naphthyridine, 24
CID 44236921
Benzo[c][2,7]naphthyridine, 25
CID 44236922
Benzo[c][2,7]naphthyridine, 26
CID 44236923
Benzo[c][2,7]naphthyridine, 27
CID 44236924
Benzo[c][2,7]naphthyridine, 31
CID 44236928
Benzo[c][2,7]naphthyridine, 23
CID 44236920
2-Methoxy-9-methyl-3-(3-methylbutoxy)quinolino[3,4-c]quinolin-7-amine
CID 44434107
US11274108, Example 1-28
CID 137404998
3-Pyridinecarbonitrile, 2-amino-4-((2-(3,4-dimethoxyphenyl)ethyl)amino)-
CID 3064501
2-amino-4-(6-ethoxy-3-pyridinyl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56862232
5-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-methylpyridin-2-amine
CID 72854981

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile (CID 10066139) is 2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile is N#Cc1c(N)nc2c(c1N)Cc1cccc(OCc3ccncc3)c1O2.
What is the InChIKey of 2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
The InChIKey is MIOGVQSKNZMFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c20-9-14-16(21)13-8-12-2-1-3-15(17(12)26-19(13)24-18(14)22)25-10-11-4-6-23-7-5-11/h1-7H,8,10H2,(H4,21,22,24).
What are the key properties of 2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile?
2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile has a molecular weight of 345.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-9-(pyridin-4-ylmethoxy)-5H-chromeno[2,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 10066139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).