2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C21H24N4O2 — CID 56864257

IUPAC2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2COCC3)cc1CN1CCCC1
InChIInChI=1S/C21H24N4O2/c1-26-19-5-4-14(10-15(19)12-25-7-2-3-8-25)20-16(11-22)21(23)24-18-6-9-27-13-17(18)20/h4-5,10H,2-3,6-9,12-13H2,1H3,(H2,23,24)
InChIKeyKUYKRXMAOUBATP-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.88
Rot. Bonds4

About 2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 56864257) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID56864257
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N)nc3c2COCC3)cc1CN1CCCC1
InChIInChI=1S/C21H24N4O2/c1-26-19-5-4-14(10-15(19)12-25-7-2-3-8-25)20-16(11-22)21(23)24-18-6-9-27-13-17(18)20/h4-5,10H,2-3,6-9,12-13H2,1H3,(H2,23,24)
InChIKeyKUYKRXMAOUBATP-UHFFFAOYSA-N
XLogP2.88
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-4-[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56749230
2-amino-4-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394058
2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3116798
2-amino-4-(1-benzofuran-2-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56864350
2-amino-4-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 662688
2-amino-4-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 1012618
2-amino-4-(5-ethyl-1H-pyrazol-3-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 56869661
5-amino-3-[4-methoxy-3-(methoxymethyl)phenyl]-1,6-diazatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-4-carbonitrile
CID 56746322
2-(4-methoxy-3-methylphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471995
(8R)-2-amino-4-(3,4-dimethoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 7114169
2-amino-4-(4-ethoxy-3-methoxyphenyl)-6-propyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3274886
2-(2-chloro-6-methoxyphenyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472857

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 56864257) is 2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is COc1ccc(-c2c(C#N)c(N)nc3c2COCC3)cc1CN1CCCC1.
What is the InChIKey of 2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is KUYKRXMAOUBATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-26-19-5-4-14(10-15(19)12-25-7-2-3-8-25)20-16(11-22)21(23)24-18-6-9-27-13-17(18)20/h4-5,10H,2-3,6-9,12-13H2,1H3,(H2,23,24).
What are the key properties of 2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 56864257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).