3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile

C24H26N6O — CID 71661443

IUPAC3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile
SMILESCCc1cc(C2=CCN(C(=O)CC#N)CC2)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C24H26N6O/c1-4-17-13-19(18-8-11-30(12-9-18)24(31)7-10-25)5-6-21(17)29(3)23-14-22-20(15-26-23)27-16-28(22)2/h5-6,8,13-16H,4,7,9,11-12H2,1-3H3
InChIKeyKBCKVMLYCUIWQY-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.83
Rot. Bonds5

About 3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile

3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile (PubChem CID 71661443) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile.

Molecular Properties

Compound Name3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile
PubChem CID71661443
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC Name3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile
SMILESCCc1cc(C2=CCN(C(=O)CC#N)CC2)ccc1N(C)c1cc2c(cn1)ncn2C
InChIInChI=1S/C24H26N6O/c1-4-17-13-19(18-8-11-30(12-9-18)24(31)7-10-25)5-6-21(17)29(3)23-14-22-20(15-26-23)27-16-28(22)2/h5-6,8,13-16H,4,7,9,11-12H2,1-3H3
InChIKeyKBCKVMLYCUIWQY-UHFFFAOYSA-N
XLogP3.83
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile?
The IUPAC name of 3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile (CID 71661443) is 3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile.
What is the SMILES notation for 3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile?
The canonical SMILES for 3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile is CCc1cc(C2=CCN(C(=O)CC#N)CC2)ccc1N(C)c1cc2c(cn1)ncn2C.
What is the InChIKey of 3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile?
The InChIKey is KBCKVMLYCUIWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O/c1-4-17-13-19(18-8-11-30(12-9-18)24(31)7-10-25)5-6-21(17)29(3)23-14-22-20(15-26-23)27-16-28(22)2/h5-6,8,13-16H,4,7,9,11-12H2,1-3H3.
What are the key properties of 3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile?
3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile has a molecular weight of 414.51 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-ethyl-4-[methyl-(1-methylimidazo[4,5-c]pyridin-6-yl)amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-3-oxopropanenitrile is sourced from PubChem (CID 71661443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).