1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile

C17H16N4O — CID 123289854

IUPAC1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile
SMILESCCc1c(Nc2cc(CO)ccn2)cn2cc(C#N)ccc12
InChIInChI=1S/C17H16N4O/c1-2-14-15(20-17-7-12(11-22)5-6-19-17)10-21-9-13(8-18)3-4-16(14)21/h3-7,9-10,22H,2,11H2,1H3,(H,19,20)
InChIKeyPTFAQWSJTZWLGS-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.00
Rot. Bonds4

About 1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile

1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile (PubChem CID 123289854) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile
PubChem CID123289854
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile
SMILESCCc1c(Nc2cc(CO)ccn2)cn2cc(C#N)ccc12
InChIInChI=1S/C17H16N4O/c1-2-14-15(20-17-7-12(11-22)5-6-19-17)10-21-9-13(8-18)3-4-16(14)21/h3-7,9-10,22H,2,11H2,1H3,(H,19,20)
InChIKeyPTFAQWSJTZWLGS-UHFFFAOYSA-N
XLogP3.00
TPSA73.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydrazinyl-4-pyridinyl)methanol
CID 59843154
2-[[4-(hydroxymethyl)-2-pyridinyl]amino]-4-phenylpyridine-3-carbonitrile
CID 164912147
2-(2-ethoxyanilino)pyridine-4-carbonitrile
CID 24704594
2-(4-fluoro-2-iodoanilino)pyridine-4-carbonitrile
CID 79766787
2-(2-fluoro-5-methylanilino)pyridine-4-carbonitrile
CID 28968597
4-[3-[[(1R,2R)-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]cyclohexyl]amino]piperidin-1-yl]benzonitrile
CID 71233430
2-(5-methoxy-2-methylanilino)pyridine-4-carbonitrile
CID 114252744
4-[[2-(ethylamino)-4-pyridinyl]methoxy]benzonitrile
CID 62465648
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]pyridine-4-carbonitrile
CID 107865845
2-(2-hydroxyethylamino)pyridine-4-carbonitrile
CID 22309035
4-[(4-amino-1-methylimidazo[4,5-c]pyridin-6-yl)amino]-3-ethylbenzonitrile
CID 145234585
2-(2-bromo-4-methylanilino)pyridine-4-carbonitrile
CID 24706091

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile?
The IUPAC name of 1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile (CID 123289854) is 1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile.
What is the SMILES notation for 1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile?
The canonical SMILES for 1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile is CCc1c(Nc2cc(CO)ccn2)cn2cc(C#N)ccc12.
What is the InChIKey of 1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile?
The InChIKey is PTFAQWSJTZWLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-2-14-15(20-17-7-12(11-22)5-6-19-17)10-21-9-13(8-18)3-4-16(14)21/h3-7,9-10,22H,2,11H2,1H3,(H,19,20).
What are the key properties of 1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile?
1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile has a molecular weight of 292.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[4-(hydroxymethyl)-2-pyridinyl]amino]indolizine-6-carbonitrile is sourced from PubChem (CID 123289854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).