N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide

C21H28N4O3 — CID 109285915

IUPACN-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2cnc(C(=O)NC3CCCCCC3)cn2)cc1OC
InChIInChI=1S/C21H28N4O3/c1-27-18-10-9-15(11-19(18)28-2)12-23-20-14-22-17(13-24-20)21(26)25-16-7-5-3-4-6-8-16/h9-11,13-14,16H,3-8,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyLHDUNDPPFIGTPJ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.56
Rot. Bonds7

About N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide

N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109285915) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109285915
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide
SMILESCOc1ccc(CNc2cnc(C(=O)NC3CCCCCC3)cn2)cc1OC
InChIInChI=1S/C21H28N4O3/c1-27-18-10-9-15(11-19(18)28-2)12-23-20-14-22-17(13-24-20)21(26)25-16-7-5-3-4-6-8-16/h9-11,13-14,16H,3-8,12H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyLHDUNDPPFIGTPJ-UHFFFAOYSA-N
XLogP3.56
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109274660
N-cycloheptyl-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282300
5-[(3,4-dimethoxyphenyl)methylamino]-N-propylpyrazine-2-carboxamide
CID 109270813
N-cyclohexyl-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109166273
N-cyclohexyl-4-[(3,4-dimethoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109204782
5-[(3,4-dimethoxyphenyl)methylamino]-N-[2-(dimethylamino)ethyl]pyrazine-2-carboxamide
CID 109277139
N-cyclohexyl-5-[2-(3,4-dimethoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109182948
5-(1,3-benzodioxol-5-ylmethylamino)-N-cyclopentylpyrazine-2-carboxamide
CID 109273911
5-[(3,4-dimethoxyphenyl)methylamino]-N-[(4-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281563
N-cyclohexyl-5-[2-(2-methoxyphenyl)ethylamino]pyrazine-2-carboxamide
CID 109274671
5-[(3,4-dimethoxyphenyl)methylamino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109285950
N-cyclohexyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109342014

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide (CID 109285915) is N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide is COc1ccc(CNc2cnc(C(=O)NC3CCCCCC3)cn2)cc1OC.
What is the InChIKey of N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is LHDUNDPPFIGTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-27-18-10-9-15(11-19(18)28-2)12-23-20-14-22-17(13-24-20)21(26)25-16-7-5-3-4-6-8-16/h9-11,13-14,16H,3-8,12H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide?
N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-5-[(3,4-dimethoxyphenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109285915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).