N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide

C24H28N6O2 — CID 59374169

IUPACN,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide
SMILESCc1ccc(Nc2ccc(Oc3nccnc3C3CCN(C(=O)N(C)C)CC3)cc2)nc1
InChIInChI=1S/C24H28N6O2/c1-17-4-9-21(27-16-17)28-19-5-7-20(8-6-19)32-23-22(25-12-13-26-23)18-10-14-30(15-11-18)24(31)29(2)3/h4-9,12-13,16,18H,10-11,14-15H2,1-3H3,(H,27,28)
InChIKeySDFPLDJZLFRXDU-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.58
Rot. Bonds5

About N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide

N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide (PubChem CID 59374169) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide
PubChem CID59374169
Molecular FormulaC24H28N6O2
Molecular Weight432.53 g/mol
Exact Mass432.23
IUPAC NameN,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide
SMILESCc1ccc(Nc2ccc(Oc3nccnc3C3CCN(C(=O)N(C)C)CC3)cc2)nc1
InChIInChI=1S/C24H28N6O2/c1-17-4-9-21(27-16-17)28-19-5-7-20(8-6-19)32-23-22(25-12-13-26-23)18-10-14-30(15-11-18)24(31)29(2)3/h4-9,12-13,16,18H,10-11,14-15H2,1-3H3,(H,27,28)
InChIKeySDFPLDJZLFRXDU-UHFFFAOYSA-N
XLogP4.58
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(Benzyloxy)pyridin-2-yl]-1-phenylurea
CID 3663276
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-methoxyphenyl)pyridin-2-amine
CID 44521019
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(2-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521020
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(3-methoxyphenyl)pyridin-2-amine
CID 44521021
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-methoxyphenyl)pyridin-2-amine
CID 44521023
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521024
4-(5,6-Dimethyl-2-pyridin-2-yl-pyridin-3-yl)oxy-N-(4-fluorophenyl)pyridin-2-amine
CID 44521026
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269493
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486581
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486497
N-[4-(benzyloxy)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide
CID 3236785

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide (CID 59374169) is N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide is Cc1ccc(Nc2ccc(Oc3nccnc3C3CCN(C(=O)N(C)C)CC3)cc2)nc1.
What is the InChIKey of N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide?
The InChIKey is SDFPLDJZLFRXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-17-4-9-21(27-16-17)28-19-5-7-20(8-6-19)32-23-22(25-12-13-26-23)18-10-14-30(15-11-18)24(31)29(2)3/h4-9,12-13,16,18H,10-11,14-15H2,1-3H3,(H,27,28).
What are the key properties of N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide?
N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 59374169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).