2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol

C22H24N4O2 — CID 20815636

IUPAC2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol
SMILESNc1ccc(-c2ccc3c(c2)CCC(CNCC(O)c2cccnc2)O3)nc1
InChIInChI=1S/C22H24N4O2/c23-18-5-7-20(26-12-18)15-4-8-22-16(10-15)3-6-19(28-22)13-25-14-21(27)17-2-1-9-24-11-17/h1-2,4-5,7-12,19,21,25,27H,3,6,13-14,23H2
InChIKeyQMOPIDXTJWHINT-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.74
Rot. Bonds6

About 2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol

2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol (PubChem CID 20815636) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol.

Molecular Properties

Compound Name2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol
PubChem CID20815636
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol
SMILESNc1ccc(-c2ccc3c(c2)CCC(CNCC(O)c2cccnc2)O3)nc1
InChIInChI=1S/C22H24N4O2/c23-18-5-7-20(26-12-18)15-4-8-22-16(10-15)3-6-19(28-22)13-25-14-21(27)17-2-1-9-24-11-17/h1-2,4-5,7-12,19,21,25,27H,3,6,13-14,23H2
InChIKeyQMOPIDXTJWHINT-UHFFFAOYSA-N
XLogP2.74
TPSA93.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol?
The IUPAC name of 2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol (CID 20815636) is 2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol.
What is the SMILES notation for 2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol?
The canonical SMILES for 2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol is Nc1ccc(-c2ccc3c(c2)CCC(CNCC(O)c2cccnc2)O3)nc1.
What is the InChIKey of 2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol?
The InChIKey is QMOPIDXTJWHINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-18-5-7-20(26-12-18)15-4-8-22-16(10-15)3-6-19(28-22)13-25-14-21(27)17-2-1-9-24-11-17/h1-2,4-5,7-12,19,21,25,27H,3,6,13-14,23H2.
What are the key properties of 2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol?
2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol has a molecular weight of 376.46 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(5-amino-2-pyridinyl)-3,4-dihydro-2H-chromen-2-yl]methylamino]-1-pyridin-3-ylethanol is sourced from PubChem (CID 20815636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).