2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile

C23H24N6O — CID 56744991

IUPAC2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile
SMILESCOc1ccccc1N1CCN(c2ncccc2CNc2cc(C#N)ccn2)CC1
InChIInChI=1S/C23H24N6O/c1-30-21-7-3-2-6-20(21)28-11-13-29(14-12-28)23-19(5-4-9-26-23)17-27-22-15-18(16-24)8-10-25-22/h2-10,15H,11-14,17H2,1H3,(H,25,27)
InChIKeyYEZMAAZXJQZSBH-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.30
Rot. Bonds6

About 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile

2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile (PubChem CID 56744991) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile
PubChem CID56744991
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile
SMILESCOc1ccccc1N1CCN(c2ncccc2CNc2cc(C#N)ccn2)CC1
InChIInChI=1S/C23H24N6O/c1-30-21-7-3-2-6-20(21)28-11-13-29(14-12-28)23-19(5-4-9-26-23)17-27-22-15-18(16-24)8-10-25-22/h2-10,15H,11-14,17H2,1H3,(H,25,27)
InChIKeyYEZMAAZXJQZSBH-UHFFFAOYSA-N
XLogP3.30
TPSA77.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methylamino]pyridine-4-carbonitrile
CID 125142212
N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide
CID 26335696
N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]prop-2-ene-1-sulfonamide
CID 42458057
3-chloro-4-[4-(2-methoxyphenyl)piperazin-1-yl]benzonitrile
CID 671275
3-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzonitrile
CID 112863108
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898253
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]amino]benzonitrile
CID 112863109
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridin-2-amine
CID 10018417
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163343712
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
CID 104848705

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile?
The IUPAC name of 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile (CID 56744991) is 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile is COc1ccccc1N1CCN(c2ncccc2CNc2cc(C#N)ccn2)CC1.
What is the InChIKey of 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile?
The InChIKey is YEZMAAZXJQZSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-30-21-7-3-2-6-20(21)28-11-13-29(14-12-28)23-19(5-4-9-26-23)17-27-22-15-18(16-24)8-10-25-22/h2-10,15H,11-14,17H2,1H3,(H,25,27).
What are the key properties of 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile?
2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile has a molecular weight of 400.49 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 56744991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).